Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6915923 | 0.86 | OPRD1 (0.43) | CYP1A2CYP3A4CYP2C9HPGDOPRD1 | |
| SCHEMBL4576511 | 0.84 | OPRD1 (0.59) | OPRD1 | |
| SCHEMBL8930490 | 0.84 | OPRD1 (0.40) | CYP1A2CYP3A4OPRD1 | |
| SCHEMBL7993545 | 0.81 | CYP3A4 (0.54) | KDM4ECYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL4591245 | 0.81 | CYP3A4 (0.54) | KDM4ECYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL8009424 | 0.81 | CYP3A4 (0.54) | KDM4ECYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL8002856 | 0.81 | CYP3A4 (0.54) | KDM4ECYP1A2CYP3A4CYP2C9HPGD | |
| SCHEMBL5146343 | 0.76 | OPRD1 (0.45) | HPGDOPRD1 | |
| SCHEMBL8930486 | 0.75 | OPRD1 (0.55) | OPRD1 | |
| SCHEMBL8930450 | 0.73 | OPRD1 (0.72) | CYP1A2CYP3A4CYP2C9HPGDOPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995004051-A1 | PIPERAZINE COMPOUNDS USED IN THERAPY | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |