Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | RORC | P51449 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL6565487 | 0.89 | MAPT (0.44) | ALDH1A1MAPTGAAPKMCA12 | |
| SCHEMBL6563265 | 0.89 | ALDH1A1 (0.55) | BCHEACHERORCALDH1A1KMT2A | |
| SCHEMBL7669552 | 0.81 | HPN (0.45) | ALDH1A1KMT2AMEN1MAPTPKM | |
| SCHEMBL6565480 | 0.81 | GSK3B (0.47) | RORCALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL14378095 | 0.81 | ALDH1A1 (0.67) | BCHEACHERORCALDH1A1KMT2A | |
| SCHEMBL28944597 | 0.75 | GRM5 (0.47) | ALDH1A1CYP2A6GAA | |
| SCHEMBL6563225 | 0.73 | IDO1 (0.44) | ALDH1A1KMT2AMEN1MAPTCYP2A6 | |
| SCHEMBL29712697 | 0.73 | MAPT (0.53) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29712675 | 0.73 | MAPT (0.53) | ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL6565837 | 0.73 | CYP1A1 (0.44) | — |
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 |