Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RHEB | Q15382 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5369145 | 0.94 | CYP3A4 (0.48) | CYP3A4AKR1B1LMNAKMT2ATTR | |
| SCHEMBL5374390 | 0.93 | CYP3A4 (0.46) | CYP3A4AKR1B1LMNAPOLBRHEB | |
| SCHEMBL5373719 | 0.93 | CYP3A4 (0.46) | CYP3A4AKR1B1LMNAPOLBRHEB | |
| SCHEMBL5370291 | 0.90 | CYP3A4 (0.43) | CYP3A4AKR1B1LMNAPOLB | |
| SCHEMBL5373613 | 0.90 | CYP3A4 (0.51) | CYP3A4AKR1B1LMNATHRATHRB | |
| SCHEMBL5374337 | 0.89 | CYP3A4 (0.47) | CYP3A4AKR1B1 | |
| SCHEMBL5368714 | 0.88 | CYP3A4 (0.53) | CYP3A4AKR1B1KMT2ATHRATHRB | |
| SCHEMBL5365181 | 0.87 | CYP3A4 (0.67) | CYP3A4AKR1B1RHEB | |
| SCHEMBL4367667 | 0.85 | CYP3A4 (0.53) | CYP3A4AKR1B1LMNAKMT2ATHRA | |
| SCHEMBL5373451 | 0.85 | CYP3A4 (0.48) | CYP3A4AKR1B1THRATHRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |