Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | KRAS | P01116 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29904599 | 1.00 | MAPKAPK2 (0.36) | MAPKAPK2CYP3A4CASP1RECQLALDH1A1 | |
| SCHEMBL2371930 | 1.00 | MAPKAPK2 (0.36) | MAPKAPK2CYP3A4CASP1RECQLALDH1A1 | |
| SCHEMBL13450829 | 1.00 | MAPKAPK2 (0.36) | MAPKAPK2CYP3A4CASP1RECQLALDH1A1 | |
| SCHEMBL6160560 | 0.81 | APLNR (0.41) | ALDH1A1KRASSOS1APLNRMAPK1 | |
| SCHEMBL30161153 | 0.81 | APLNR (0.41) | ALDH1A1KRASSOS1APLNRMAPK1 | |
| SCHEMBL23192881 | 0.81 | DHFR (0.44) | DHFRAOC3 | |
| SCHEMBL24010070 | 0.81 | APLNR (0.41) | ALDH1A1KRASSOS1APLNRMAPK1 | |
| SCHEMBL26125642 | 0.80 | NPC1 (0.33) | ALDH1A1APLNRTP53MAPK1KDM4E | |
| SCHEMBL26125646 | 0.80 | NPC1 (0.33) | ALDH1A1APLNRTP53MAPK1KDM4E | |
| SCHEMBL9185287 | 0.79 | ADRA2B (0.38) | ALDH1A1AOC3ADRA2AADRA2BADRA2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622912-B1 | 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2005103055-A1 | PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORPORATION (US) | 2005-11-03 | — | — | WO | disclosed |