Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2860488 | 0.90 | TAS1R3 (0.44) | STSNPC1RAB9ACES2CES1 | |
| SCHEMBL2861279 | 0.87 | AKR1C3 (0.50) | AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1 | |
| SCHEMBL2858308 | 0.82 | SYNJ2 (0.52) | AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1 | |
| SCHEMBL5491546 | 0.82 | SYNJ2 (0.49) | PTGS1ALDH1A1HPGDCYP1A2PDE4A | |
| SCHEMBL19420477 | 0.81 | CES2 (0.61) | STSNPC1RAB9ACES2CES1 | |
| SCHEMBL2859767 | 0.80 | LMNA (0.46) | AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1 | |
| SCHEMBL2862742 | 0.80 | LMNA (0.48) | AKR1C3AKR1C2AKR1C1PTGS1RAB9A | |
| SCHEMBL2865202 | 0.78 | HSD17B1 (0.44) | AKR1C3AKR1C2AKR1C1PTGS1LMNA | |
| SCHEMBL2864867 | 0.77 | SLC5A1 (0.42) | AKR1C3AKR1C2PTGS1NPC1RAB9A | |
| SCHEMBL2865476 | 0.76 | CYP3A4 (0.46) | AKR1C3AKR1C2AKR1C1PTGS1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1642880-B1 | HSP90 FAMILY PROTEIN INHIBITORS | KYOWA HAKKO KIRIN CO LTD (JP) | 2013-09-04 | — | — | EP | claimed |