Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5376945 | 0.88 | CYP3A4 (0.44) | CYP3A4LMNASMN1; SMN2NPC1PDE4B | |
| SCHEMBL5374014 | 0.86 | CYP3A4 (0.48) | CYP3A4LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5377730 | 0.85 | CYP3A4 (0.45) | CYP3A4LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5375921 | 0.84 | CYP3A4 (0.48) | CYP3A4LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL5375382 | 0.83 | CYP3A4 (0.45) | CYP3A4SMN1; SMN2NPC1RAB9AAKR1B1 | |
| SCHEMBL5372571 | 0.80 | CYP3A4 (0.60) | CYP3A4AKR1B1 | |
| SCHEMBL5369070 | 0.79 | CYP3A4 (0.47) | CYP3A4NPC1ALDH1A1ALPLHTT | |
| SCHEMBL28778796 | 0.78 | ALPL (0.49) | CYP3A4LMNAALPLIDH1 | |
| SCHEMBL5372604 | 0.75 | CYP3A4 (0.71) | CYP3A4LMNANPC1RAB9ATHRA | |
| SCHEMBL5373837 | 0.75 | CYP3A4 (0.47) | CYP3A4LMNANPC1THRATHRB |
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 |