Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | CA6 | P23280 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173331 | 1.00 | PTGS2 (0.55) | PTGS2CA12CA7CA9CA14 | |
| SCHEMBL306003 | 0.85 | CA12 (0.53) | PTGS2CA12CA7CA9CA14 | |
| SCHEMBL6170850 | 0.83 | UNG (0.38) | PTGS2 | |
| SCHEMBL21817202 | 0.78 | MRGPRX4 (0.38) | — | |
| SCHEMBL6172243 | 0.77 | MEN1 (0.38) | NPC1RAB9A | |
| SCHEMBL305026 | 0.77 | BACE1 (0.47) | PTGS2CA12CA7CA9CA14 | |
| SCHEMBL6170674 | 0.75 | HIF1A (0.44) | CA1CA2NPC1RAB9ALMNA | |
| SCHEMBL4603142 | 0.75 | PPARG (0.45) | CA12CA7CA9CA14CA1 | |
| SCHEMBL4616887 | 0.75 | PPARG (0.45) | CA12CA7CA9CA14CA1 | |
| SCHEMBL6172177 | 0.74 | PTGS2 (0.60) | PTGS2CA12CA7CA9CA14 |
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-1192127-B1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMA (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6369226-B1 | ENZYME INHIBITORS | AGOURON PHARMACEUTICALS, INC. | 2002-04-09 | — | — | US | disclosed |
| EP-1192127-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | Agouron Pharmaceuticals, Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078708-A1 | SUBSTITUTED BENZAMIDE INHIBITORS OF RHINOVIRUS 3C PROTEASE | AGOURON PHARMACEUTICALS, INC. (US) | 2000-12-28 | — | — | WO | disclosed |