Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL357443 | 0.83 | CYP1A2 (0.53) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL29660297 | 0.83 | CYP1A2 (0.53) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| Hexamethylbenzene SCHEMBL28405817 | 0.81 | TSHR (0.56) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| Ammonia Solution, Strong SCHEMBL2263911 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| Triphenylene SCHEMBL26965843 | 0.80 | HPRT1 (0.40) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| Triphenylene SCHEMBL9251630 | 0.80 | HPRT1 (0.40) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL28539881 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| Triphenylene SCHEMBL6233334 | 0.80 | HPRT1 (0.40) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL9824756 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP3A4TSHRHPGDHSD17B10 | |
| SCHEMBL29712920 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP3A4TSHRHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112143354-A | Low-VOC (volatile organic compound) water-based coating composition with improved application performance | 艾仕得涂料系统知识产权有限责任公司 | 2020-12-29 | — | — | CN | disclosed |
| EP-0149765-A2 | Coating compositions containing a ketimine | AMERICAN CYANAMID COMPANY (US) | 1985-07-31 | — | — | EP | disclosed |