Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | DPYD | Q12882 | 1/20 | 0.45 |
| ▸ | GPR18 | Q14330 | 3/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.43 |
| ▸ | HPD | P32754 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375957 | 0.91 | CYP3A4 (0.55) | CYP3A4NR4A2MAOAMAOBRXRA | |
| SCHEMBL5367047 | 0.85 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL5386101 | 0.84 | NR4A2 (0.47) | CYP3A4MEN1KMT2ANR4A2MAOA | |
| SCHEMBL5374289 | 0.81 | CYP3A4 (0.64) | CYP3A4 | |
| SCHEMBL5377482 | 0.81 | CYP3A4 (0.57) | CYP3A4 | |
| SCHEMBL28778796 | 0.78 | ALPL (0.49) | CYP3A4CNR1GPR55 | |
| SCHEMBL5377193 | 0.77 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2 | |
| SCHEMBL5377053 | 0.77 | CYP3A4 (0.51) | CYP3A4 | |
| SCHEMBL5368812 | 0.76 | CYP3A4 (0.55) | CYP3A4 | |
| SCHEMBL5373613 | 0.75 | CYP3A4 (0.51) | CYP3A4MAOAMAOB |
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 |