Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5374280 | 0.88 | CYP3A4 (0.50) | CYP3A4CNR2AKR1B1LDHALDHB | |
| SCHEMBL5368836 | 0.88 | CYP3A4 (0.64) | CYP3A4AKR1B1DAO | |
| SCHEMBL5373933 | 0.85 | CYP3A4 (0.45) | CYP3A4CNR2AKR1B1DAOAR | |
| SCHEMBL5373848 | 0.85 | CYP3A4 (0.54) | CYP3A4ARPARP1NOTUM | |
| SCHEMBL5382621 | 0.84 | CYP3A4 (0.54) | CYP3A4POLBAKR1B1DAOCYP1A2 | |
| SCHEMBL5351260 | 0.83 | AKR1B1 (0.51) | CYP3A4POLBAKR1B1DAOAR | |
| SCHEMBL5371246 | 0.79 | CYP3A4 (0.48) | CYP3A4PARP1 | |
| SCHEMBL5370985 | 0.79 | CYP3A4 (0.48) | CYP3A4DAOPARP1 | |
| SCHEMBL18127144 | 0.77 | PTGS1 (0.51) | CYP3A4POLBDAOCYP1A2 | |
| SCHEMBL146770 | 0.76 | CALM1 (0.50) | CYP3A4LDHALDHB |
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 |