Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 11/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.40 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28944597 | 0.90 | GRM5 (0.47) | CYP1A2ABCG2ABCB1ABCC1GSK3B | |
| SCHEMBL6565878 | 0.88 | ABCG2 (0.42) | CYP1A2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6561856 | 0.84 | LMNA (0.47) | CSNK1A1CSNK1D | |
| SCHEMBL6563265 | 0.82 | ALDH1A1 (0.55) | CSNK1A1CSNK1DGSK3BCSNK1G2GRM5 | |
| SCHEMBL6563532 | 0.81 | ALDH1A1 (0.44) | — | |
| SCHEMBL6565487 | 0.81 | MAPT (0.44) | TSHR | |
| SCHEMBL7675442 | 0.78 | CRHBP (0.50) | SIGMAR1 | |
| SCHEMBL28546126 | 0.77 | GRM5 (0.54) | CYP1A2GRM5SIGMAR1 | |
| SCHEMBL6563594 | 0.76 | KMT2A (0.51) | SIGMAR1 | |
| SCHEMBL6563225 | 0.76 | IDO1 (0.44) | CYP1A2GRM5TSHRCYP11B2 |
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 |