Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | P4HB | P07237 | 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 | |
|---|---|---|---|---|
| SCHEMBL7939957 | 0.94 | ALDH1A3 (0.39) | CYP1A2CYP2C9CYP2C19ALDH1A1ALDH1A3 | |
| 4-Vinylphenol SCHEMBL2470274 | 0.77 | ALDH1A3 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3446236 | 0.75 | ALDH1A1 (0.42) | CYP1A2CYP2C9CYP2C19ALDH1A1ALDH1A3 | |
| 4-Vinylphenol SCHEMBL7936324 | 0.72 | MAPT (0.53) | BCHEALDH1A1KDM4EMAPTP4HB | |
| 4-Vinylphenol SCHEMBL29130649 | 0.72 | ALDH1A3 (0.40) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL4384304 | 0.71 | ALDH1A1 (0.52) | CA12CA1CA2CA7CA9 | |
| 4-Vinylphenol SCHEMBL8516846 | 0.70 | CHRNB2 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5547299 | 0.69 | ALDH1A1 (0.48) | CYP2C9CYP2C19ALDH1A1ALDH1A3MAPT | |
| SCHEMBL8980130 | 0.69 | CYP1A2 (0.59) | CYP1A2CYP2C9CYP2C19ALDH1A1ALDH1A3 | |
| 4-Vinylphenol SCHEMBL15157512 | 0.69 | ELANE (0.50) | CA12CA1CA2CA7CA9 |
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-6284863-B1 | REACTED WITH UNSATURATED AMIDES THAT MAY BE CYCLIC, E.G., N-VINYL-2-PYRROLIDONE | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 2001-09-04 | — | — | US | disclosed |