Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | BRAF | P15056 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | VNN1 | O95497 | 3/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | GRK2 | P25098 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7678064 | 0.87 | KLK1 (0.49) | NPC1RAB9ABRAFHDAC1EGLN1 | |
| SCHEMBL7808322 | 0.86 | NPC1 (0.39) | NPC1RAB9ABRAFHDAC1VNN1 | |
| SCHEMBL6565441 | 0.79 | KMT2A (0.46) | NPC1RAB9AVNN1EGLN1ALDH1A1 | |
| SCHEMBL6563532 | 0.78 | ALDH1A1 (0.44) | NPC1RAB9AVNN1EGLN1ALDH1A1 | |
| SCHEMBL6565480 | 0.78 | GSK3B (0.47) | VNN1GSK3AGSK3BALDH1A1 | |
| SCHEMBL6562338 | 0.77 | GAA (0.47) | VNN1ALDH1A1MAPT | |
| SCHEMBL17065514 | 0.76 | GRK2 (0.47) | NPC1RAB9ABRAFEGLN1PAK4 | |
| SCHEMBL6563651 | 0.74 | MAPK13 (0.45) | NPC1RAB9AEGLN1GSK3AGSK3B | |
| SCHEMBL6563777 | 0.73 | GSK3B (0.45) | GSK3BALDH1A1MAPT | |
| SCHEMBL8573538 | 0.73 | GAA (0.44) | NPC1RAB9ABRAFHDAC1PAK4 |
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 |