Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449281 | 1.00 | OPRM1 (0.44) | OPRM1OPRK1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7440856 | 0.89 | L3MBTL1 (0.40) | CYP2C9CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL7440833 | 0.89 | L3MBTL1 (0.40) | CYP2C9CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL7443186 | 0.86 | ALDH1A1 (0.43) | CYP2D6CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL7443195 | 0.86 | ALDH1A1 (0.43) | CYP2D6CYP2C9ALDH1A1KDM4EMEN1 | |
| SCHEMBL7438937 | 0.83 | OPRM1 (0.43) | OPRM1OPRK1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7437324 | 0.78 | CTSK (0.33) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL7449272 | 0.77 | CTSK (0.52) | OPRM1OPRK1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7433110 | 0.72 | — | — | |
| SCHEMBL7433115 | 0.72 | — | — |
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-6187905-B1 | PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES | HOFFMANN-LA ROCHE INC. | 2001-02-13 | — | — | US | disclosed |