Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.58 |
| ▸ | DRD1 | P21728 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1811263 | 0.84 | ALDH1A3 (0.63) | ALDH1A3DRD1ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10455042 | 0.84 | ALDH1A3 (0.63) | ALDH1A3DRD1ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL23302215 | 0.81 | CYP1A2 (0.47) | ALDH1A1CYP1A2GAACYP2C9PKM | |
| SCHEMBL44089 | 0.80 | GAA (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL2557162 | 0.79 | ALDH1A3 (0.61) | ALDH1A3DRD1ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL7835396 | 0.78 | ALDH1A3 (0.59) | ALDH1A3DRD1ALDH1A1CYP2A6KMT2A | |
| SCHEMBL28071919 | 0.78 | CYP1A2 (0.72) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL2557247 | 0.77 | ALDH1A3 (0.63) | ALDH1A3DRD1ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL2558483 | 0.77 | ALDH1A3 (0.58) | ALDH1A3DRD1ALDH1A1CYP2A6KMT2A | |
| SCHEMBL2332488 | 0.76 | ALDH1A3 (0.61) | ALDH1A3DRD1ALDH1A1CYP2A6CYP1A2 |
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-105566021-A | Preparation method of alpha, beta-unsaturated carboxylic acid compounds | UNIV SCIENCE & TECH CHINA | 2016-05-11 | — | — | CN | disclosed |