Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TKT | P29401 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.30 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL27454449 | 0.85 | CYP2D6 (0.40) | CYP2D6CYP19A1FAAHALDH1A1CYP3A4 | |
| SCHEMBL29563920 | 0.80 | CYP19A1 (0.46) | CYP19A1CYP3A4TRPV4LOXL2P2RX7 | |
| SCHEMBL742533 | 0.80 | CYP19A1 (0.46) | CYP19A1CYP3A4TRPV4LOXL2P2RX7 | |
| Hydrazine SCHEMBL4301523 | 0.77 | HSP90AA1 (0.44) | CYP19A1CYP3A4TRPV4PTGS2LOXL2 | |
| SCHEMBL23842514 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP19A1FAAHALDH1A1CYP3A4 | |
| Phenol SCHEMBL28808335 | 0.71 | CYP19A1 (0.44) | CYP19A1TRPV4PTGS1P2RX7 | |
| SCHEMBL22585255 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP19A1FAAHALDH1A1CYP3A4 | |
| Piperazine SCHEMBL4824527 | 0.70 | ADRB1 (0.46) | CYP19A1TRPV4 | |
| SCHEMBL21784451 | 0.70 | CYP2D6 (0.41) | CYP2D6CYP19A1FAAHCYP3A4 | |
| SCHEMBL16454356 | 0.69 | CYP19A1 (0.43) | CYP2D6CYP19A1CYP3A4P2RX7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1146551-C | Substituted diazacycloheptane compound, medicine composite contg. same and the use thereof | BASF | 2004-04-21 | — | — | CN | disclosed |
| CN-1348956-A | Substituted diazacycloheptane compound, medicine composite contg. same and the use thereof | BASF AG (DE) | 2002-05-15 | — | — | CN | disclosed |
| CN-1267286-A | 2-{3-[4-(2-t-butyl-6-trifluoromethylpyridin-4-yl) piperazin-1-yl] propylmercapto} pyrimidin-4-ol-fumarate | BASF AG (DE) | 2000-09-20 | — | — | CN | disclosed |
| CN-1212692-A | Substituted nitrogen-and diazepanes and cyclooctanes and their use | BASF AG (DE) | 1999-03-31 | — | — | CN | disclosed |