Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.57 |
| ▸ | ANPEP | P15144 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9543916 | 0.75 | ANPEP (0.44) | KDM4EALDH1A1GLAGAAMAPT | |
| SCHEMBL6990095 | 0.74 | MCL1 (0.47) | KDM4EALDH1A1GLAGAAMAPT | |
| Hydrochloric Acid SCHEMBL17593280 | 0.74 | ALDH1A1 (0.42) | KDM4EALDH1A1GLAGAAMAPT | |
| SCHEMBL29443025 | 0.73 | AKR1C3 (0.50) | GAAMAPTNPY5RMCL1 | |
| SCHEMBL289302 | 0.73 | AKR1C3 (0.50) | GAAMAPTNPY5RMCL1 | |
| SCHEMBL9515050 | 0.73 | ANPEP (0.53) | KDM4EALDH1A1GLAGAAMAPT | |
| SCHEMBL9515057 | 0.73 | ANPEP (0.53) | KDM4EALDH1A1GLAGAAMAPT | |
| Hydrochloric Acid SCHEMBL9516294 | 0.72 | ANPEP (0.51) | KDM4EALDH1A1GLAGAAMAPT | |
| Hydrochloric Acid SCHEMBL9516301 | 0.72 | ANPEP (0.51) | KDM4EALDH1A1GLAGAAMAPT | |
| Hydrochloric Acid SCHEMBL9516290 | 0.72 | ANPEP (0.51) | KDM4EALDH1A1GLAGAAMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0945438-B1 | PYRAZOLE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-03-05 | — | — | EP | disclosed |
| US-6057335-A | Pyrazole derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0945438-A1 | PYRAZOLE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-09-29 | — | — | EP | disclosed |