Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 3/20 | 0.49 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377193 | 0.84 | CYP3A4 (0.50) | CYP3A4DAOLMNA | |
| SCHEMBL5369070 | 0.84 | CYP3A4 (0.47) | ALPLCYP3A4 | |
| SCHEMBL5413137 | 0.83 | CYP3A4 (0.50) | ALPLIDH1CYP3A4LMNA | |
| SCHEMBL5373837 | 0.83 | CYP3A4 (0.47) | ALPLCYP3A4LMNA | |
| SCHEMBL5376945 | 0.83 | CYP3A4 (0.44) | ALPLCYP3A4LMNA | |
| SCHEMBL5376942 | 0.82 | CYP3A4 (0.54) | ALPLCYP3A4CNR1GPR55LMNA | |
| SCHEMBL5374289 | 0.81 | CYP3A4 (0.64) | CYP3A4 | |
| SCHEMBL18127144 | 0.81 | PTGS1 (0.51) | CYP3A4DAOLMNA | |
| SCHEMBL5377482 | 0.80 | CYP3A4 (0.57) | CYP3A4 | |
| SCHEMBL5367047 | 0.80 | CYP3A4 (0.54) | CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-100469769-C | Benzyl-pyridazinons as reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (CH) | 2009-03-18 | — | — | CN | claimed |