Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16705733 | 0.85 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5784633 | 0.82 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL290040 | 0.81 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16705731 | 0.81 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5869063 | 0.79 | FFAR1 (0.37) | ALDH1A1MEN1KMT2AKDM4ENFE2L2 | |
| SCHEMBL7574771 | 0.78 | MAOB (0.55) | MAPTALDH1A1 | |
| SCHEMBL8751797 | 0.77 | HDAC8 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1963842 | 0.77 | CA12 (0.71) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12637178 | 0.77 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8702633 | 0.77 | MAPT (0.54) | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0854721-B1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2001-10-24 | — | — | EP | disclosed |
| US-6127371-A | FOR TREATMENT OR PREVENTION OF CARDIOVASCULAR AND RENAL DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 2000-10-03 | — | — | US | disclosed |
| US-5985886-A | USEFUL IN THE TREATMENT OF A VARIETY OF CARDIOVASCULAR AND RENAL DISEASES | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-16 | — | — | US | disclosed |
| US-5942516-A | Endothelin receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 1999-08-24 | — | — | US | disclosed |
| EP-0854721-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1998-12-02 | — | — | EP | disclosed |
| EP-0854721-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997004781-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-13 | — | — | WO | disclosed |