Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7843720 | 0.90 | KDM4E (0.44) | KDM4EALDH1A1TRPV1HPGDNPC1 | |
| SCHEMBL7841290 | 0.88 | RAB9A (0.46) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL7831716 | 0.86 | RAB9A (0.44) | KDM4EALDH1A1TRPV1HPGDNPC1 | |
| SCHEMBL7842489 | 0.86 | RAB9A (0.44) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL7839027 | 0.86 | KDM4E (0.49) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL8152135 | 0.85 | KMT2A (0.57) | KDM4EALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL7838582 | 0.85 | MAPT (0.55) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL27378630 | 0.84 | CYP3A4 (0.43) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL7842082 | 0.84 | NPC1 (0.44) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL7840091 | 0.83 | CRHBP (0.47) | KDM4EALDH1A1HPGDNPC1RAB9A |
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-0882030-B1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GMBH (DE) | 2001-09-12 | — | — | EP | disclosed |
| US-6017939-A | 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect | MERCK PATENT GESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| EP-0882030-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT | MERCK PATENT GmbH (DE) | 1998-12-09 | — | — | EP | disclosed |
| 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 | disclosed |