Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19715004 | 0.81 | LTA4H (0.44) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL18428012 | 0.81 | LTA4H (0.44) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL18427979 | 0.79 | IDO1 (0.57) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL19714971 | 0.79 | IDO1 (0.57) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL18427948 | 0.79 | IDO1 (0.57) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7146237 | 0.77 | LTA4H (0.52) | ALDH1A1LMNAMAPTCYP1A2MEN1 | |
| SCHEMBL27395590 | 0.77 | LTA4H (0.52) | ALDH1A1LMNAMAPTCYP1A2MEN1 | |
| Metamelfalan SCHEMBL2015272 | 0.76 | CYP3A4 (0.70) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| Metamelfalan SCHEMBL30781236 | 0.76 | CYP3A4 (0.70) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA | |
| Metamelfalan SCHEMBL6842568 | 0.76 | CYP3A4 (0.70) | CYP3A4ALDH1A1SMN1; SMN2HIF1ALMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3331851-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | Quadriga Biosciences, Inc. (US) | 2018-06-13 | — | — | EP | claimed |
| US-20170036992-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2017-02-09 | — | — | US | claimed |
| WO-2017024009-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. (US) | 2017-02-09 | — | — | WO | claimed |
| US-20190185413-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2019-06-20 | — | — | US | disclosed |
| US-10246406-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | QUADRIGA BIOSCIENCES, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| US-20180297935-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. | 2018-10-18 | — | — | US | disclosed |
| 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 |
| EP-3331851-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | Quadriga Biosciences, Inc. (US) | 2018-06-13 | — | — | EP | 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 |
| WO-2017024009-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | QUADRIGA BIOSCIENCES, INC. (US) | 2017-02-09 | — | — | WO | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 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 | CYP3A4 2071/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-10017459-B2 | β-substituted β-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC7A1, SLC3A2, SLC43A1 | CYP3A4 2058/4885ALDH1A1 509/4885SMN1; SMN2 3209/4885 |
| US-20180297935-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CYP3A4 2071/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-20170362166-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CYP3A4 2071/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-10246406-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | SLC3A2, SLC7A1, SLC43A1 | CYP3A4 2071/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
| US-20190185413-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF | SLC3A2, SLC7A1, SLC43A1 | CYP3A4 2071/4885ALDH1A1 501/4885SMN1; SMN2 3001/4885 |
“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.