Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5244065 | 0.88 | POLB (0.35) | CYP1A2POLBCYP2C19P2RX7 | |
| SCHEMBL5244481 | 0.85 | CYP1A2 (0.33) | CYP1A2POLBCYP2C19HSP90B1 | |
| SCHEMBL5209455 | 0.83 | CYP1A2 (0.31) | CYP1A2POLBCYP2C19HSP90B1 | |
| SCHEMBL14587237 | 0.82 | CYP1A2 (0.32) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5640684 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL5244657 | 0.81 | FLT1 (0.37) | CYP1A2POLBCYP2C19P2RX7 | |
| SCHEMBL5639870 | 0.80 | ROCK2 (0.33) | CYP1A2POLBCYP2C19 | |
| SCHEMBL5642068 | 0.80 | LMNA (0.41) | CYP1A2POLBCYP2C19P2RX7 | |
| SCHEMBL5643996 | 0.80 | — | — | |
| SCHEMBL5640877 | 0.80 | CYP1A2 (0.30) | CYP1A2POLBCYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1401826-B1 | PYRAZOLE DERIVATIVES AS HIV REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | claimed |