Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.32 |
| ▸ | SMO | Q99835 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907258 | 0.83 | CYP2A13 (0.37) | SSTR5F10F2 | |
| SCHEMBL5230515 | 0.83 | DRD4 (0.30) | — | |
| SCHEMBL5224327 | 0.81 | KDM4E (0.36) | SMO | |
| SCHEMBL5229202 | 0.77 | — | — | |
| SCHEMBL7261026 | 0.75 | SMO (0.41) | S1PR1SSTR5TNIKSMOF10 | |
| SCHEMBL5224513 | 0.74 | KDM4E (0.36) | SMO | |
| SCHEMBL2761292 | 0.74 | LCK (0.41) | S1PR1SSTR5TNIKSMO | |
| SCHEMBL5227556 | 0.74 | — | — | |
| SCHEMBL5226178 | 0.73 | AAK1 (0.31) | — | |
| SCHEMBL5225271 | 0.72 | DRD4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |
| EP-1611122-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089932-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |