Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.43 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14606370 | 0.90 | TDP1 (0.51) | CYP4F2CYP4A11TDP1TYRAPP | |
| SCHEMBL2426333 | 0.86 | CYP4F2 (0.55) | CYP4F2CYP4A11TDP1TYRCDYL | |
| SCHEMBL27230065 | 0.84 | CYP4F2 (0.52) | CYP4F2CYP4A11 | |
| SCHEMBL2728740 | 0.84 | CYP4F2 (0.52) | CYP4F2CYP4A11 | |
| SCHEMBL14360800 | 0.83 | CYP4F2 (0.58) | CYP4F2CYP4A11TDP1TYRAPP | |
| SCHEMBL28470050 | 0.81 | TDP1 (0.67) | CYP4F2CYP4A11TDP1TYRAPP | |
| SCHEMBL28477110 | 0.79 | CYP4F2 (0.50) | CYP4F2CYP4A11TDP1TYRAPP | |
| SCHEMBL1246063 | 0.79 | CYP4F2 (0.76) | CYP4F2CYP4A11TYRNPC1PKM | |
| SCHEMBL28662041 | 0.76 | TDP1 (0.54) | CYP4F2CYP4A11TDP1APPAKR1B1 | |
| SCHEMBL24798942 | 0.76 | TYR (0.54) | CYP4F2CYP4A11TDP1TYRAPP |
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 |
|---|---|---|---|---|---|---|---|
| CN-113277947-A | Monomer spice 3- (2-hydroxyphenyl) propionic acid-2 hydroxypropyl ester for cigarette and synthetic method and application thereof | 安徽中烟工业有限责任公司 | 2021-08-20 | — | — | CN | disclosed |