Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | RHEB | Q15382 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5411581 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5373738 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5367059 | 0.86 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5373847 | 0.74 | THRA (0.44) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5364856 | 0.74 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL4367667 | 0.74 | CYP3A4 (0.53) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5368877 | 0.73 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2C19RHEBNPBWR1 | |
| SCHEMBL5368441 | 0.73 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL14570716 | 0.72 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL17689717 | 0.71 | RHEB (0.44) | RHEBNPBWR1MCHR1MEN1KMT2A |
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 |