Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11643609 | 0.98 | CYP17A1 (0.50) | CYP17A1PTGDR2PTPN11PSMB8NAMPT | |
| SCHEMBL18311597 | 0.85 | HDAC1 (0.46) | CYP17A1NAMPTCA12CA1CA9 | |
| SCHEMBL11649697 | 0.84 | ALDH1A1 (0.40) | CYP17A1PTGDR2PTPN11CA12CA1 | |
| SCHEMBL13055402 | 0.84 | CYP17A1 (0.59) | CYP17A1PTGDR2PTPN11PSMB8NAMPT | |
| SCHEMBL5106835 | 0.83 | CYP17A1 (0.54) | CYP17A1PTGDR2PTPN11PSMB8NAMPT | |
| SCHEMBL13193491 | 0.82 | CYP17A1 (0.52) | CYP17A1PTGDR2PTPN11PSMB8NAMPT | |
| SCHEMBL14861108 | 0.82 | CYP17A1 (0.52) | CYP17A1PTGDR2PTPN11PSMB8NAMPT | |
| SCHEMBL222627 | 0.82 | POLB (0.57) | CYP17A1PTGDR2PSMB8NAMPTCA12 | |
| SCHEMBL3486818 | 0.82 | NAMPT (0.54) | CYP17A1PTGDR2PTPN11NAMPTCA1 | |
| SCHEMBL11090977 | 0.82 | NAMPT (0.53) | PTPN11NAMPTCA12CA1MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5362747-A | Promoters, inhibitors | ABBOTT LABORATORIES (US) | 1994-11-08 | — | — | US | disclosed |
| WO-1994012163-A1 | 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE | ABBOTT LABORATORIES (US) | 1994-06-09 | — | — | WO | disclosed |
| US-4111981-A | SUBSTITUTED PHENYLGLYCINES | SMITHKLINE CORPORATION (US) | 1978-09-05 | — | — | US | disclosed |
| US-4107440-A | (CARBOALKOXYALKYLTHIO)-SUBSTITUTED PHENYLGLYCINES | SMITHKLINE CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4092480-A | Intermediates for preparing substituted phenylglycylcephalosporins | SMITHKLINE CORPORATION (US) | 1978-05-30 | — | — | US | disclosed |
| US-4044047-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1977-08-23 | — | — | US | disclosed |
| US-4022895-A | BACTERICIDE | SMITHKLINE CORPORATION (US) | 1977-05-10 | — | — | US | disclosed |
| US-4018921-A | BACTERICIDES | SMITHKLINE CORPORATION (US) | 1977-04-19 | — | — | US | disclosed |