Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 11/20 | 0.38 |
| ▸ | NOS2 | P35228 | 9/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL3248266 | 0.79 | NOS3 (0.38) | NOS3NOS2PNMTACHECYP19A1 | |
| SCHEMBL638089 | 0.79 | NOS3 (0.41) | NOS3NOS2PNMTACHECYP19A1 | |
| SCHEMBL637334 | 0.76 | NOS3 (0.35) | NOS3NOS2PNMTACHECYP19A1 | |
| SCHEMBL7298902 | 0.66 | NOS3 (0.53) | NOS3NOS2CYP19A1TSHRHTR2A | |
| SCHEMBL29964099 | 0.66 | NOS3 (0.53) | NOS3NOS2CYP19A1TSHRHTR2A | |
| SCHEMBL7310501 | 0.64 | PNMT (0.37) | PNMTCYP19A1 | |
| Hydrochloric Acid SCHEMBL11781894 | 0.63 | PNMT (0.36) | NOS2PNMTHTR2ANOS1 | |
| SCHEMBL11523523 | 0.62 | ACHE (0.53) | PNMTACHECYP19A1TSHR | |
| SCHEMBL28529344 | 0.62 | HTR2A (0.49) | NOS3NOS2PNMTACHETSHR | |
| SCHEMBL29407071 | 0.62 | HTR2A (0.49) | NOS3NOS2PNMTACHETSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5204471-A | α-trifluoromethyl-substituted, saturated bicyclic amines | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0527385-A1 | Alpha-trifluoromethyl substituted, saturated bicyclic amines and process for their preparation | BAYER AG (DE) | 1993-02-17 | — | — | EP | disclosed |