Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 5/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.30 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10918627 | 0.88 | CYP3A4 (0.65) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| SCHEMBL29874510 | 0.88 | CYP3A4 (0.65) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| SCHEMBL29384050 | 0.88 | CYP3A4 (0.65) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| SCHEMBL3975605 | 0.87 | CYP3A4 (0.61) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| Toluene Diisocyanate SCHEMBL4919023 | 0.83 | CYP3A4 (0.63) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| SCHEMBL29708073 | 0.82 | CYP3A4 (0.51) | CYP3A4TRPA1TSHRTDP1MAPK1 | |
| SCHEMBL15544 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1TSHRTDP1GABRA1 | |
| SCHEMBL29404189 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1TSHRTDP1GABRA1 | |
| SCHEMBL18701450 | 0.80 | CYP3A4 (0.50) | CYP3A4TRPA1TSHRTDP1GABRA1 | |
| SCHEMBL11866335 | 0.79 | CYP3A4 (0.56) | CYP3A4TRPA1TSHRTDP1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0053766-B2 | PROCESS FOR THE PREPARATION OF COATINGS | BAYER AG (DE) | 1991-07-24 | — | — | EP | disclosed |
| EP-0053766-B1 | Process for the preparation of coatings | BAYER AG (DE) | 1986-03-26 | — | — | EP | disclosed |
| US-4373081-A | Coating compositions and process for the production of polyurethane coatings | BAYER AKTIENGESELLSCHAFT (DE) | 1983-02-08 | — | — | US | disclosed |
| EP-0053766-A1 | Process for the preparation of coatings | BAYER AG (DE) | 1982-06-16 | — | — | EP | disclosed |