Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | MC4R | P32245 | 1/20 | 0.46 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682517 | 0.79 | CYP2D6 (0.55) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL9682607 | 0.77 | CYP2D6 (0.57) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL6097455 | 0.76 | CYP2D6 (0.65) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL9682060 | 0.75 | CYP2D6 (0.50) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL9682547 | 0.73 | CYP2D6 (0.52) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL9681972 | 0.73 | CYP2D6 (0.47) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL48088 | 0.73 | CYP2D6 (0.61) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL9596277 | 0.73 | CYP2D6 (0.61) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL2916607 | 0.73 | CYP2D6 (0.61) | CYP2D6MC4RCCR5OPRM1OPRK1 | |
| SCHEMBL2920210 | 0.73 | CYP2D6 (0.61) | CYP2D6MC4RCCR5OPRM1OPRK1 |
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-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |