Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19368208 | 0.82 | ADRB2 (0.42) | CYP2D6 | |
| SCHEMBL21300513 | 0.82 | ESR2 (0.50) | CYP2D6 | |
| SCHEMBL780234 | 0.80 | AKR1C3 (0.52) | TRPA1AKR1C3AKR1C1 | |
| SCHEMBL18574578 | 0.76 | SLC18A3 (0.48) | AKR1C3AKR1C1CYP2D6 | |
| SCHEMBL20329827 | 0.76 | KDM1A (0.40) | — | |
| SCHEMBL2050 | 0.75 | SLC18A3 (0.61) | TRPA1CYP2D6 | |
| SCHEMBL2493273 | 0.75 | TRPA1 (0.44) | TRPA1AKR1C3AKR1C1 | |
| SCHEMBL24700592 | 0.74 | KDM1A (0.47) | CYP2D6 | |
| SCHEMBL15081945 | 0.74 | CHRNB4 (0.44) | — | |
| SCHEMBL16191223 | 0.74 | GAA (0.44) | CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726171-A | N-(1-alkyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo B! 1,4!diazepin-3yl)-acetamides | MERCK & CO INC (US) | 1998-03-10 | — | — | US | disclosed |