Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30040710 | 1.00 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL374838 | 0.85 | CYP3A4 (0.58) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29475262 | 0.83 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL78982 | 0.83 | CYP3A4 (0.56) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL314237 | 0.83 | CYP3A4 (0.61) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29376372 | 0.83 | CYP3A4 (0.61) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29620420 | 0.81 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL29620419 | 0.81 | CYP3A4 (0.55) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL11681539 | 0.81 | CYP3A4 (0.54) | CYP3A4TRPA1TDP1MAPK1TSHR | |
| SCHEMBL3407573 | 0.80 | CYP3A4 (0.58) | CYP3A4TRPA1TDP1MAPK1TSHR |
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 |