Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.53 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.48 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NEK2 | P51955 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10983292 | 1.00 | AKR1C3 (0.53) | AKR1C3TBXAS1DDAH1NOS1HPGD | |
| Hydrochloric Acid SCHEMBL10989976 | 0.98 | AKR1C3 (0.51) | AKR1C3TBXAS1DDAH1NOS1HPGD | |
| Hydrochloric Acid SCHEMBL10989978 | 0.98 | AKR1C3 (0.51) | AKR1C3TBXAS1DDAH1NOS1HPGD | |
| SCHEMBL7268646 | 0.84 | AKR1C3 (0.67) | AKR1C3TBXAS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7963228 | 0.84 | AKR1C3 (0.67) | AKR1C3TBXAS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27224536 | 0.84 | AKR1C3 (0.67) | AKR1C3TBXAS1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8374501 | 0.79 | PDE7A (0.39) | AKR1C3TBXAS1PDE7A | |
| SCHEMBL8441479 | 0.79 | PDE7A (0.39) | AKR1C3TBXAS1PDE7A | |
| SCHEMBL2462983 | 0.78 | AKR1C3 (0.82) | AKR1C3TBXAS1L3MBTL1ALDH1A1 | |
| SCHEMBL2462984 | 0.78 | AKR1C3 (0.82) | AKR1C3TBXAS1L3MBTL1ALDH1A1 |
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-4496735-A | THROMBOXANE A2 INHIBITOR | MARUKO SEIYAKU CO., LTD. (JP) | 1985-01-29 | — | — | US | claimed |
| US-4496735-A | THROMBOXANE A2 INHIBITOR | MARUKO SEIYAKU CO., LTD. (JP) | 1985-01-29 | — | — | US | disclosed |