Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.36 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377805 | 0.91 | CYP3A4 (0.45) | CYP3A4FNTAFNTBPGGT1BCYP2C9 | |
| SCHEMBL5386135 | 0.89 | CYP3A4 (0.45) | CYP3A4PRMT5WDR77CYP2C9CYP2C19 | |
| SCHEMBL5370850 | 0.88 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19HTR2AKCNH2 | |
| SCHEMBL5382537 | 0.88 | CYP3A4 (0.47) | CYP3A4EPAS1CYP2C9CYP2C19HTR2A | |
| SCHEMBL5374410 | 0.88 | CYP3A4 (0.49) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5375295 | 0.88 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5370328 | 0.88 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5370543 | 0.87 | CYP3A4 (0.46) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5365181 | 0.86 | CYP3A4 (0.67) | CYP3A4FNTAFNTBPGGT1BPRMT5 | |
| SCHEMBL5365366 | 0.86 | CYP3A4 (0.51) | CYP3A4EPAS1CYP2C9CYP2C19 |
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 2 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 |