Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | FABP2 | P12104 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11797483 | 0.84 | TSHR (0.67) | MAPK1CES2CES1TSHRHIF1A | |
| SCHEMBL9065412 | 0.82 | SRD5A2 (0.80) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL1681512 | 0.82 | SRD5A2 (0.80) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL10697158 | 0.82 | SRD5A2 (0.80) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL51827 | 0.82 | SRD5A2 (0.80) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL28827166 | 0.82 | SRD5A2 (0.55) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL30010720 | 0.79 | SRD5A2 (0.76) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL29985694 | 0.79 | SRD5A2 (0.76) | MAPK1SRD5A2CES2CES1HPGD | |
| Hydrochloric Acid SCHEMBL11704986 | 0.79 | SRD5A2 (0.76) | MAPK1SRD5A2CES2CES1HPGD | |
| SCHEMBL11057221 | 0.79 | SRD5A2 (0.68) | MAPK1SRD5A2CES2CES1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0304221-B1 | 5-amino or substituted amino 1,2,3-triazoles useful as antiproliferative agents | MERCK & CO INC (US) | 1994-02-16 | — | — | EP | disclosed |
| US-5045543-A | Treatment of cancer with high probability of metastasis | MERCK & CO., INC. (US) | 1991-09-03 | — | — | US | disclosed |
| US-4847257-A | PSORIASIS | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0304221-A2 | 5-amino or substituted amino 1,2,3-triazoles useful as antiproliferative agents | MERCK & CO. INC. (US) | 1989-02-22 | — | — | EP | disclosed |