Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18120663 | 0.89 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL17879526 | 0.86 | LMNA (0.46) | NPC1ALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL16971142 | 0.85 | ALDH1A1 (0.43) | NPC1ALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL16971094 | 0.83 | MAPT (0.43) | NPC1ALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL31406367 | 0.83 | MAPT (0.43) | NPC1ALDH1A1SMN1; SMN2MAPTKMT2A | |
| SCHEMBL4710743 | 0.79 | GAA (0.52) | NPC1ALDH1A1MAPTKMT2AMEN1 | |
| SCHEMBL17879527 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL16970698 | 0.77 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2MAPTKMT2AMEN1 | |
| SCHEMBL27590296 | 0.77 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MAPTKMT2ATSHR | |
| SCHEMBL10902 | 0.76 | ALDH1A1 (0.46) | NPC1ALDH1A1SMN1; SMN2MAPTKMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-10 | — | — | US | disclosed |
| US-20180078517-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2018-03-22 | — | — | US | disclosed |
| US-9861599-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2018-01-09 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-12-21 | — | — | US | disclosed |
| US-9783487-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2017-10-10 | — | — | US | disclosed |
| US-9783487-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2017-10-10 | — | — | US | disclosed |
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-02-09 | — | — | US | disclosed |
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-02-09 | — | — | US | disclosed |
| US-20160346240-A1 | METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS | QUADRIGA BIOSCIENCES, INC. | 2016-12-01 | — | — | US | disclosed |
| US-20160346240-A1 | METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS | QUADRIGA BIOSCIENCES, INC. | 2016-12-01 | — | — | US | disclosed |
| US-20160296484-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-10-13 | — | — | US | disclosed |
| US-20160289172-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| US-20160289172-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-10-06 | — | — | US | disclosed |
| US-9394237-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-9394237-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150218086-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2015-08-06 | — | — | US | disclosed |
| US-20150218086-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2015-08-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | NPC1 212/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC7A1, SLC3A2, SLC43A1 | NPC1 203/4885ALDH1A1 509/4885SMN1; SMN2 3209/4885 |
| US-20150218086-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | NPC1 258/4885ALDH1A1 440/4885SMN1; SMN2 2952/4885 |
| US-20160289172-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | NPC1 258/4885ALDH1A1 440/4885SMN1; SMN2 2952/4885 |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | NPC1 212/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-20160346240-A1 | METHODS OF CHEMOTHERAPY USING CHEMOTHERAPEUTIC AGENTS BASED ON BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS | BCAT1, CDC25C, BCAT2 | NPC1 3588/4885ALDH1A1 688/4885SMN1; SMN2 2370/4885 |
| US-20160296484-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | NPC1 258/4885ALDH1A1 440/4885SMN1; SMN2 2952/4885 |
| US-20180078517-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | NPC1 258/4885ALDH1A1 440/4885SMN1; SMN2 2952/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.