Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 2/20 | 0.38 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4502011 | 0.82 | MAPK1 (0.50) | PARP1ALDH1A1MAPK1LMNAMAPT | |
| SCHEMBL4514708 | 0.70 | MAPK1 (0.49) | ALDH1A1MAPK1LMNAMAPTPDE9A | |
| SCHEMBL4502316 | 0.70 | PDE9A (0.47) | TNKSPDE9APDE1C | |
| SCHEMBL4502003 | 0.69 | PDE9A (0.57) | PDE9APDE1C | |
| SCHEMBL22042885 | 0.67 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL4504690 | 0.66 | TYK2 (0.49) | ALDH1A1SMN1; SMN2MAPK1NPC1LMNA | |
| SCHEMBL4591180 | 0.65 | TYK2 (0.62) | ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A | |
| SCHEMBL16728898 | 0.64 | RAB9A (0.52) | ALDH1A1RAB9AMAPTKDM4ETSHR | |
| SCHEMBL4516124 | 0.64 | TYK2 (0.54) | ALDH1A1MAPK1MAPTPDE9APDE1C | |
| SCHEMBL27704094 | 0.62 | MAPK10 (0.41) | ALDH1A1LMNAL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | WO | disclosed |