Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HB | P07237 | 5/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | DPP4 | P27487 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | FDPS | P14324 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173124 | 1.00 | P4HB (0.60) | P4HBPTGS2TTRDPP4MAOB | |
| SCHEMBL18098004 | 0.87 | P4HB (0.68) | P4HBTTRCA12CA1CA2 | |
| SCHEMBL30798937 | 0.86 | PTGS2 (0.61) | P4HBPTGS2TTRDPP4MAOB | |
| SCHEMBL1234979 | 0.86 | PTGS2 (0.61) | P4HBPTGS2TTRDPP4MAOB | |
| SCHEMBL2944847 | 0.86 | PTGS2 (0.61) | P4HBPTGS2TTRDPP4MAOB | |
| SCHEMBL4427602 | 0.85 | TTR (0.69) | PTGS2TTRDPP4MAOBCA12 | |
| SCHEMBL4427604 | 0.85 | TTR (0.69) | PTGS2TTRDPP4MAOBCA12 | |
| SCHEMBL11974533 | 0.85 | TTR (0.55) | PTGS2TTRDPP4MAOBCA12 | |
| SCHEMBL11974532 | 0.85 | TTR (0.55) | PTGS2TTRDPP4MAOBCA12 | |
| SCHEMBL4895017 | 0.84 | TTR (0.57) | PTGS2TTRDPP4MAOBCA12 |
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 |