Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4285629 | 0.83 | CYP3A4 (0.40) | CYP3A4ALDH1A1HPGDTDP1TRPA1 | |
| SCHEMBL9303930 | 0.76 | CYP3A4 (0.41) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL2169198 | 0.75 | CYP3A4 (0.52) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL5577120 | 0.74 | CYP3A4 (0.48) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL2291859 | 0.73 | CYP3A4 (0.60) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL10659642 | 0.73 | GABRA1 (0.35) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL10841494 | 0.73 | GABRA1 (0.50) | CYP3A4GABRA1GABRB2TDP1 | |
| SCHEMBL10316767 | 0.72 | CYP3A4 (0.39) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL943420 | 0.71 | CYP3A4 (0.38) | CYP3A4GABRA1GABRB2ALDH1A1HPGD | |
| SCHEMBL5786288 | 0.69 | CYP3A4 (0.41) | CYP3A4GABRA1GABRB2ALDH1A1HPGD |
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-4130546-A | EPOXY, ISOCYANATE, CURING AGNET, MODIFIED BUTADIENE POLYMER | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1978-12-19 | — | — | US | disclosed |
| US-4128531-A | EPOXY, ISOCYANATE, CURING AGENT, HYDROXYLATED BUTADIENE POLYMER | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1978-12-05 | — | — | US | disclosed |