Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7839729 | 0.91 | TP53 (0.44) | TP53ALDH1A1KDM4ECYP3A4KMT2A | |
| SCHEMBL7842233 | 0.90 | KMT2A (0.40) | TP53ALDH1A1KDM4ECYP3A4KMT2A | |
| SCHEMBL7845530 | 0.88 | KMT2A (0.43) | TP53ALDH1A1KDM4ETDP1CYP3A4 | |
| SCHEMBL8152135 | 0.86 | KMT2A (0.57) | TP53ALDH1A1KDM4ECYP3A4KMT2A | |
| SCHEMBL7838868 | 0.86 | HPGD (0.41) | ALDH1A1KDM4ECYP3A4KMT2AMAPT | |
| SCHEMBL7841290 | 0.85 | RAB9A (0.46) | ALDH1A1KDM4ECYP3A4KMT2AMAPT | |
| SCHEMBL7831716 | 0.83 | RAB9A (0.44) | ALDH1A1MAPK1KDM4ECYP3A4KMT2A | |
| SCHEMBL7842489 | 0.83 | RAB9A (0.44) | ALDH1A1KDM4ECYP3A4KMT2AMAPT | |
| SCHEMBL7839027 | 0.83 | KDM4E (0.49) | ALDH1A1MAPK1KDM4ETDP1CYP3A4 | |
| SCHEMBL7838582 | 0.82 | MAPT (0.55) | ALDH1A1MAPK1KDM4ECYP3A4KMT2A |
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 |