Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23880689 | 0.98 | CDK1 (0.48) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL28041064 | 0.98 | CDK1 (0.48) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL23880688 | 0.98 | CDK1 (0.48) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL30227451 | 0.95 | NOS2 (0.51) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL13153647 | 0.95 | NOS2 (0.51) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL13153625 | 0.87 | NOS2 (0.48) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL30227466 | 0.87 | NOS2 (0.48) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL6531704 | 0.87 | NOS2 (0.53) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL7468038 | 0.81 | NOS2 (0.58) | HRH2HRH3CDK1CDK2NOS2 | |
| SCHEMBL20421664 | 0.80 | NOS2 (0.51) | HRH2HRH3CDK1CDK2NOS2 |
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-0948331-A2 | METHOD FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998025596-A2 | USE OF A 6-ARYL PYRIMIDINE COMPOUND FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |