Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14308115 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL257926 | 0.76 | ESR1 (0.41) | — | |
| SCHEMBL21737149 | 0.76 | CCR2 (0.34) | ALDH1A1TDP1KMT2A | |
| SCHEMBL257618 | 0.76 | DGAT1 (0.39) | ALDH1A1CYP2A6ALOX12KMT2A | |
| SCHEMBL13107429 | 0.75 | CES2 (0.43) | ALDH1A1CES2CES1CA3CA6 | |
| SCHEMBL2688432 | 0.73 | ACHE (0.36) | ALDH1A1CA3CA6CA5ACA9 | |
| SCHEMBL24006867 | 0.73 | RECQL (0.34) | CES2CES1CYP1A2CYP2A6 | |
| SCHEMBL14159169 | 0.73 | KDM4E (0.37) | HTTTRPA1MEN1MAPTKMT2A | |
| SCHEMBL14434929 | 0.73 | IDO1 (0.42) | ATMIDO1TRPA1KMT2A | |
| SCHEMBL12164545 | 0.73 | CYP1A2 (0.43) | ALDH1A1CA9CA14CYP1A2CYP2A6 |
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-1453836-B1 | BICYCLIC [1,2,4] -TRIAZOLE ADENOSINE A2a RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2007-03-28 | — | — | EP | disclosed |