Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 4/20 | 0.72 |
| ▸ | DPP4 | P27487 | 1/20 | 0.72 |
| ▸ | MAOB | P27338 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA7 | P43166 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.60 |
| ▸ | APP | P05067 | 9/20 | 0.57 |
| ▸ | FDPS | P14324 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173515 | 1.00 | TTR (0.72) | TTRDPP4MAOBCYP3A4CA12 | |
| SCHEMBL13830813 | 0.89 | TTR (0.72) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL30286241 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL31059266 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL22196845 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL782032 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL782033 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| Ethyl Caffeate SCHEMBL30602576 | 0.84 | TTR (1.00) | TTRDPP4MAOBCYP3A4CA12 | |
| SCHEMBL11219753 | 0.83 | TTR (0.76) | TTRDPP4MAOBCYP3A4CA12 | |
| SCHEMBL11219756 | 0.83 | TTR (0.76) | TTRDPP4MAOBCYP3A4CA12 |
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 |