Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5640877 | 0.94 | CYP1A2 (0.30) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5640684 | 0.86 | ALDH1A1 (0.38) | KMT2A | |
| SCHEMBL5244657 | 0.85 | FLT1 (0.37) | CYP1A2POLBCYP2C19KMT2A | |
| SCHEMBL5640502 | 0.83 | PABPC1 (0.32) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5244497 | 0.82 | CYP1A2 (0.36) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5640690 | 0.82 | RECQL (0.33) | — | |
| SCHEMBL5244065 | 0.81 | POLB (0.35) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5640374 | 0.81 | MEN1 (0.35) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL5643535 | 0.81 | AR (0.41) | KMT2A | |
| SCHEMBL5643053 | 0.79 | ENPP1 (0.35) | POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |