Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | PARP1 | P09874 | 12/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.33 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.33 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.33 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.33 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.33 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.33 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.33 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.33 |
| ▸ | PSMB4 | P28070 | 1/20 | 0.33 |
| ▸ | PSMB6 | P28072 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | PSMB10 | P40306 | 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 | |
|---|---|---|---|---|
| SCHEMBL5373711 | 0.91 | CYP3A4 (0.49) | CYP3A4PARP1MEN1NPC1RAB9A | |
| SCHEMBL5368972 | 0.90 | CYP3A4 (0.64) | CYP3A4PARP1NPC1RAB9A | |
| SCHEMBL5371246 | 0.86 | CYP3A4 (0.48) | CYP3A4PARP1MEN1NPC1RAB9A | |
| SCHEMBL5373848 | 0.80 | CYP3A4 (0.54) | CYP3A4PARP1MEN1NPC1RAB9A | |
| SCHEMBL5368912 | 0.77 | CYP3A4 (0.83) | CYP3A4PARP1 | |
| SCHEMBL5370322 | 0.76 | CYP3A4 (0.53) | CYP3A4PARP1KMT2A | |
| SCHEMBL5374280 | 0.76 | CYP3A4 (0.50) | CYP3A4KMT2ACNR2 | |
| SCHEMBL5367001 | 0.74 | MAPT (0.45) | CYP3A4PARP1MEN1NPC1RAB9A | |
| SCHEMBL7583539 | 0.74 | CYP3A4 (0.42) | CYP3A4MEN1NPC1RAB9AKMT2A | |
| SCHEMBL5368836 | 0.73 | CYP3A4 (0.64) | CYP3A4 |
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 |