Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.60 |
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA9 | Q16790 | 2/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.60 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL167090 | 0.98 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14127541 | 0.98 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29558143 | 0.98 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9383598 | 0.91 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5634995 | 0.84 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7819014 | 0.83 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL258418 | 0.81 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6449465 | 0.81 | CA1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29634588 | 0.81 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12003966 | 0.81 | CA12 (0.43) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0650484-B1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5559105-A | ANTAGONIST FOR ENDOTHELIN RECEPTORS, HYPOTENSIVE AGENTS, TREATMENT OF KIDNEY FAILURE OR CEREBROVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0650484-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-05-03 | — | — | EP | disclosed |
| CN-1088581-A | Endothelin-receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 1994-06-29 | — | — | CN | disclosed |
| WO-1994002474-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-02-03 | — | — | WO | disclosed |