Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.55 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | TCF4 | P15884 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | HSPE1 | P61604 | 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 | |
|---|---|---|---|---|
| SCHEMBL8552065 | 1.00 | CA1 (0.55) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL2813142 | 0.84 | CA1 (0.53) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL2813135 | 0.84 | CA1 (0.53) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL8895115 | 0.83 | CA1 (0.61) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL4775778 | 0.81 | CA1 (0.59) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL4775774 | 0.81 | CA1 (0.59) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL10722665 | 0.80 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL9220935 | 0.80 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL9220929 | 0.80 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL31160503 | 0.80 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 |
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-0882030-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-09 | — | — | EP | claimed |
| WO-1997030982-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1997-08-28 | — | — | WO | claimed |
| EP-0714391-A1 | SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1996-06-05 | — | — | EP | claimed |