Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10968102 | 0.93 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10962578 | 0.89 | CYP3A4 (0.44) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10966469 | 0.86 | CYP3A4 (0.41) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10963787 | 0.85 | CYP3A4 (0.44) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10963525 | 0.85 | CYP3A4 (0.41) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL483400 | 0.84 | CYP3A4 (0.58) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL5669652 | 0.84 | CYP3A4 (0.53) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10967511 | 0.84 | TYR (0.40) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10966288 | 0.84 | TYR (0.40) | CYP3A4TRPA1GABRA1GABRB2MAPK1 | |
| SCHEMBL10965063 | 0.84 | TYR (0.40) | CYP3A4TRPA1GABRA1GABRB2MAPK1 |
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 |