Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP9 | P14780 | 2/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6563002 | 0.89 | HRH3 (0.42) | PTPN11NPC1ALDH1A1 | |
| SCHEMBL6563511 | 0.88 | PTPN11 (0.40) | PTPN11NPC1ROCK2PDK2 | |
| SCHEMBL6563770 | 0.84 | SPHK1 (0.43) | NPC1PDK2ALDH1A1MMP2MMP9 | |
| SCHEMBL7686729 | 0.83 | PTPN11 (0.43) | PTPN11ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL7674981 | 0.83 | ABL1 (0.43) | PTPN11ALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL6561858 | 0.82 | GRM5 (0.47) | PTPN11ALDH1A1KMT2A | |
| SCHEMBL6565417 | 0.81 | PTPN11 (0.36) | PTPN11NPC1ALDH1A1 | |
| SCHEMBL6565384 | 0.80 | GRM5 (0.46) | PTPN11NPC1KMT2A | |
| SCHEMBL6561835 | 0.78 | PTPN11 (0.35) | PTPN11NPC1ALDH1A1KMT2A | |
| SCHEMBL6563591 | 0.78 | LRRK2 (0.39) | ROCK2PDK2ALDH1A1KMT2A |
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-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 |