Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.56 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SCN4A | P35499 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7988988 | 0.90 | CYP3A4 (0.61) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL673797 | 0.86 | CYP3A4 (0.75) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL7987508 | 0.86 | CYP3A4 (0.75) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL2059564 | 0.86 | CYP3A4 (0.62) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL2059543 | 0.85 | CYP3A4 (0.61) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL5372537 | 0.84 | CYP3A4 (0.74) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL7977464 | 0.81 | CYP3A4 (0.62) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL7994627 | 0.80 | CYP3A4 (0.60) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL2059527 | 0.79 | ATM (0.46) | CYP3A4OPRM1ABCC3ABCC4ABCB11 | |
| SCHEMBL2059530 | 0.79 | ATM (0.46) | CYP3A4OPRM1ABCC3ABCC4ABCB11 |
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-6284767-B1 | AIDS; MIXTURE WITH ENZYME INHIBITOR | ABBOTT LABORATORIES | 2001-09-04 | — | — | US | disclosed |