Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL16970698 | 0.99 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL17879526 | 0.89 | LMNA (0.46) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL18120663 | 0.86 | ALDH1A1 (0.46) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL16970721 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL10902 | 0.84 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2LMNATNF | |
| Hydrochloric Acid SCHEMBL28112642 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL16979680 | 0.82 | MAPT (0.45) | ALDH1A1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL14008890 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPTSMN1; SMN2LMNA | |
| SCHEMBL4833185 | 0.80 | NPC1 (0.48) | ALDH1A1MAPTLMNATNFKMT2A | |
| SCHEMBL16970776 | 0.79 | MAPT (0.47) | ALDH1A1TDP1MAPTSMN1; SMN2LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10034847-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | QUADRIGA BIOSCIENCES, INC. (US) | 2018-07-31 | — | — | 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-20160185710-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-06-30 | — | — | US | disclosed |
| US-20160185710-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | QUADRIGA BIOSCIENCES, INC. | 2016-06-30 | — | — | 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 (2 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-10034847-B2 | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | SLC7A1, SLC3A2, SLC1A5 | ALDH1A1 440/4885TDP1 3140/4885CYP3A4 1711/4885 |
| US-20160185710-A1 | BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS | SLC7A1, SLC3A2, SLC1A5 | ALDH1A1 440/4885TDP1 3140/4885CYP3A4 1711/4885 |
“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.