Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377730 | 0.88 | CYP3A4 (0.45) | CYP3A4LMNAFAAHLTA4HALDH1A1 | |
| SCHEMBL5373845 | 0.88 | CYP3A4 (0.40) | CYP3A4LMNAALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5374014 | 0.86 | CYP3A4 (0.48) | CYP3A4LMNAFAAHKDM4EALDH1A1 | |
| SCHEMBL5377193 | 0.84 | CYP3A4 (0.50) | CYP3A4LMNAFAAHKDM4EALDH1A1 | |
| SCHEMBL28778796 | 0.83 | ALPL (0.49) | CYP3A4LMNAALPL | |
| SCHEMBL5365424 | 0.81 | CYP3A4 (0.48) | CYP3A4LMNAALDH1A1SMN1; SMN2PDE10A | |
| SCHEMBL5373837 | 0.78 | CYP3A4 (0.47) | CYP3A4LMNAFAAHHTTALPL | |
| SCHEMBL5370985 | 0.77 | CYP3A4 (0.48) | CYP3A4PDE10ACYP2C9CYP2C19 | |
| SCHEMBL5369070 | 0.76 | CYP3A4 (0.47) | CYP3A4ALDH1A1HTTALPLPDE10A | |
| SCHEMBL5370922 | 0.76 | CYP3A4 (0.45) | CYP3A4FAAHLTA4HKDM4EALDH1A1 |
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 |