Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.60 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.60 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541611 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6937843 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6937847 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6937850 | 0.88 | CYP3A4 (0.61) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6939152 | 0.88 | CYP3A4 (0.74) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6939149 | 0.88 | CYP3A4 (0.74) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL6939145 | 0.88 | CYP3A4 (0.74) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL5082564 | 0.80 | CYP3A4 (0.79) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL5136413 | 0.80 | CYP3A4 (0.79) | CYP3A4CYP1A2OPRD1CYP2C9HPGD | |
| SCHEMBL5082543 | 0.80 | CYP3A4 (0.79) | CYP3A4CYP1A2OPRD1CYP2C9HPGD |
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-1993015062-A1 | OPIOID DIARYLMETHYLPIPERAZINES AND PIPERIDINES | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-08-05 | — | — | WO | disclosed |