Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | BCR | P11274 | 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 Alcohol SCHEMBL27471687 | 0.85 | CYP2D6 (0.39) | CYP2D6CYP19A1CYP3A4FAAHTRPV4 | |
| SCHEMBL29563920 | 0.82 | CYP19A1 (0.46) | CYP19A1CYP3A4TRPV4LOXL2P2RX7 | |
| SCHEMBL742533 | 0.82 | CYP19A1 (0.46) | CYP19A1CYP3A4TRPV4LOXL2P2RX7 | |
| Hydrazine SCHEMBL4301523 | 0.78 | HSP90AA1 (0.44) | CYP19A1CYP3A4TRPV4LOXL2P2RX7 | |
| SCHEMBL29215358 | 0.73 | SMN1; SMN2 (0.40) | CYP2D6CYP19A1TSHRALDH1A1HSP90AA1 | |
| SCHEMBL23842514 | 0.72 | CYP2D6 (0.41) | CYP2D6CYP19A1TSHRCYP3A4FAAH | |
| SCHEMBL22585255 | 0.72 | CYP2D6 (0.41) | CYP2D6CYP19A1TSHRCYP3A4FAAH | |
| Piperazine SCHEMBL4824527 | 0.72 | ADRB1 (0.46) | CYP19A1TRPV4CA2CHKAHSP90AA1 | |
| SCHEMBL21784451 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP19A1TDP1CYP3A4FAAH | |
| SCHEMBL27581634 | 0.70 | CYP19A1 (0.47) | CYP19A1CYP3A4P2RX7CA2CHKA |
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 |