Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 2/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7351176 | 0.82 | CYP19A1 (0.55) | CYP19A1PDE3BPDE3APDE4APDE4B | |
| SCHEMBL9466940 | 0.76 | MAPT (0.45) | CYP19A1KDM4EALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8893249 | 0.73 | CYP3A4 (0.46) | CYP19A1KDM4EATMCYP3A4 | |
| SCHEMBL2167797 | 0.72 | BACE1 (0.52) | CYP19A1KDM4EALDH1A1MAPTCYP3A4 | |
| SCHEMBL9850097 | 0.72 | NCOA1 (0.48) | KDM4EALDH1A1HPGDHSD17B10ALOX5 | |
| SCHEMBL9694505 | 0.71 | L3MBTL1 (0.51) | CYP19A1PDE3BPDE3AKDM4EALDH1A1 | |
| SCHEMBL7350997 | 0.70 | HDAC4 (0.48) | CYP19A1KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4332132 | 0.69 | TUBB4A (0.41) | MAPT | |
| SCHEMBL9193436 | 0.69 | CYP19A1 (0.61) | CYP19A1PDE1APDE1BPDE3BPDE1C | |
| SCHEMBL721861 | 0.69 | ACHE (0.65) | KDM4EALDH1A1HPGDL3MBTL1POLB |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997008169-A1 | FURANONE ENDOTHELIN ANTAGONISTS | WARNER-LAMBERT COMPANY (US) | 1997-03-06 | — | — | WO | claimed |
| 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-1998042702-A1 | ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-10-01 | — | — | WO | disclosed |
| WO-1998027077-A1 | 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1998-06-25 | — | — | WO | 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 |