Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30445598 | 0.79 | ALDH1A1 (0.40) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL2997348 | 0.79 | ALDH1A1 (0.40) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL9505783 | 0.71 | ALDH1A1 (0.55) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| Methylamine SCHEMBL28262977 | 0.71 | CYP1A2 (0.46) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL10162939 | 0.69 | EPHX2 (0.45) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL11546049 | 0.69 | CYP1A2 (0.44) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL19281834 | 0.69 | CYP1A2 (0.44) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL5167762 | 0.69 | ALDH1A1 (0.59) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL10235441 | 0.69 | CYP2C19 (0.47) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 | |
| SCHEMBL28125192 | 0.69 | CYP1A2 (0.44) | CYP2C19CYP1A2ALDH1A1HPGDALOX15 |
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-101563310-A | Carbonylation of conjugated dienes | LUCITE INT UK LTD (GB) | 2009-10-21 | — | — | CN | disclosed |