Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29407125 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TRPA1ATMCYP1A2HTR1D | |
| SCHEMBL23915 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TRPA1ATMCYP1A2HTR1D | |
| SCHEMBL15485256 | 0.83 | ALDH1A1 (0.53) | ALDH1A1TRPA1ATMCYP1A2HTR1D | |
| Water SCHEMBL29374093 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TRPA1ATMCYP1A2HTR1D | |
| Ether SCHEMBL11100989 | 0.77 | MAPK1 (0.40) | ALDH1A1HTR1DHTR1BLMNAGAA | |
| SCHEMBL11018429 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TRPA1ATMCYP1A2HTR1D | |
| SCHEMBL22542329 | 0.75 | NCF1 (0.37) | — | |
| Ether SCHEMBL27534235 | 0.74 | TRPA1 (0.71) | ALDH1A1TRPA1ATMTDP1HPGD | |
| SCHEMBL4626530 | 0.73 | ALDH1A1 (0.74) | ALDH1A1TRPA1ATMCYP1A2RECQL | |
| Ether SCHEMBL28161113 | 0.73 | GAA (0.44) | ALDH1A1TRPA1ATMCYP1A2HTR1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-2055731-B1 | Method of preparing a poly(arylene ether) and a poly(arylene ether) prepared thereby | SABIC INNOVATIVE PLASTICS IP (NL) | 2011-06-01 | — | — | EP | disclosed |