Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6565837 | 0.88 | CYP1A1 (0.44) | ABCG2ABCB1ABCC1GABRG2GABRB3 | |
| SCHEMBL6563225 | 0.83 | IDO1 (0.44) | ALDH1A1CYP1A2MAPK1CYP2C19HSD17B10 | |
| SCHEMBL28944597 | 0.82 | GRM5 (0.47) | ABCG2ABCB1ABCC1ALDH1A1CYP1A2 | |
| SCHEMBL6565292 | 0.82 | KCNA5 (0.39) | ABCG2ABCB1ABCC1ALDH1A1GRM5 | |
| SCHEMBL6561856 | 0.76 | LMNA (0.47) | MAPK1 | |
| SCHEMBL16376886 | 0.75 | GABRG2 (0.58) | GABRG2GABRB3GABRA5GABRA3ADORA2A | |
| SCHEMBL6563265 | 0.74 | ALDH1A1 (0.55) | ALDH1A1GRM5 | |
| SCHEMBL6565487 | 0.74 | MAPT (0.44) | ALDH1A1MAPK1HSD17B10TSHR | |
| SCHEMBL6563532 | 0.74 | ALDH1A1 (0.44) | ALDH1A1 | |
| SCHEMBL29712645 | 0.73 | GRM5 (0.53) | ALDH1A1CYP1A2MAPK1CYP2C19GRM5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140802-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-03-17 | — | — | EP | disclosed |
| US-6479524-B1 | TO PROLONG THE THROMBIN TIME | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-11-12 | — | — | US | disclosed |
| EP-1140802-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM KG (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035859-A1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-06-22 | — | — | WO | disclosed |