Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11781894 | 0.98 | PNMT (0.36) | PNMTTRPA1IDO1 | |
| SCHEMBL22244282 | 0.81 | TRPA1 (0.35) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL18464841 | 0.75 | TRPA1 (0.38) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL31303677 | 0.71 | NOS3 (0.43) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5008439 | 0.71 | NOS3 (0.43) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL16930290 | 0.68 | CYP3A4 (0.37) | — | |
| SCHEMBL4130355 | 0.68 | NOS3 (0.46) | TRPA1 | |
| SCHEMBL8628901 | 0.67 | TRPA1 (0.35) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL3979211 | 0.67 | TRPA1 (0.35) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL31168159 | 0.67 | TRPA1 (0.35) | TRPA1IDO1CYP19A1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108617166-A | Protein Kinase Inhibitor Benzolactam Compounds | 大冢制药株式会社 | 2018-10-02 | — | — | CN | disclosed |
| US-5605926-A | PROPHYLAXIS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-02-25 | — | — | US | disclosed |
| US-5430151-A | Treatment of aids, pneumonia, caprine arthritis encephalitis, leukemia and immmunodeficiency | BAYER AKTIENGESELLSCHAFT (DE) | 1995-07-04 | — | — | US | disclosed |
| US-5204471-A | α-trifluoromethyl-substituted, saturated bicyclic amines | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0528242-A2 | Trifluoromethyl containing pseudopeptides | BAYER AG (DE) | 1993-02-24 | — | — | EP | disclosed |
| EP-0527385-A1 | Alpha-trifluoromethyl substituted, saturated bicyclic amines and process for their preparation | BAYER AG (DE) | 1993-02-17 | — | — | EP | disclosed |
| US-3956333-A | BACTERICIDE | STERLING DRUG INC. (US) | 1976-05-11 | — | — | US | disclosed |