Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL10965705 | 0.91 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10964195 | 0.89 | GABRA1 (0.53) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10962315 | 0.88 | CYP3A4 (0.47) | CYP3A4GABRA1GABRB2DAOTRPA1 | |
| SCHEMBL17472982 | 0.87 | GABRA1 (0.50) | CYP3A4GABRA1GABRB2DAOTRPA1 | |
| SCHEMBL10971614 | 0.84 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10965192 | 0.82 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2 | |
| SCHEMBL11856318 | 0.82 | CYP3A4 (0.57) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL2346860 | 0.81 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10963657 | 0.81 | GABRA1 (0.51) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10965829 | 0.81 | CYP3A4 (0.44) | CYP3A4GABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4512929-A | POLYURETHANE MONOMERS, PLANT SAFENING AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1985-04-23 | — | — | US | disclosed |