Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.52 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RHEB | Q15382 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL10712466 | 0.87 | HPGD (0.54) | AGBL2APEX1HPGDCYP2C9CYP2C19 | |
| SCHEMBL10712007 | 0.86 | AGBL2 (0.44) | AGBL2APEX1HPGDCYP2C9CYP2C19 | |
| SCHEMBL11759221 | 0.83 | AGBL2 (0.55) | AGBL2HPGDCYP2C9CYP2C19RHEB | |
| SCHEMBL11755237 | 0.83 | AGBL2 (0.55) | AGBL2HPGDCYP2C9CYP2C19RHEB | |
| SCHEMBL11758586 | 0.81 | AGBL2 (0.50) | AGBL2HPGDCYP2C9CYP2C19RHEB | |
| SCHEMBL4733549 | 0.80 | AGBL2 (0.59) | AGBL2HPGDCYP2C9CYP2C19RHEB | |
| SCHEMBL11343508 | 0.80 | HPGD (0.65) | AGBL2APEX1HPGDCYP2C9CYP2C19 | |
| SCHEMBL11758032 | 0.80 | MMP2 (0.60) | AGBL2HPGDCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL3640100 | 0.79 | CYP2C9 (0.72) | AGBL2HPGDCYP2C9CYP2C19RHEB | |
| SCHEMBL10974662 | 0.78 | CYP2C9 (0.51) | APEX1HPGDCYP2C9CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4536507-A | ANTIASTHMA AGENTS | MERCK & CO., INC. (US) | 1985-08-20 | — | — | US | disclosed |
| EP-0023078-A1 | Substituted dibenzo(b,f)thiepin-3-carboxylic acid derivatives, their preparation and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1981-01-28 | — | — | EP | disclosed |