Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.41 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10669295 | 0.74 | CYSLTR1 (0.57) | CYSLTR1CYSLTR2L3MBTL1PDE10AGPBAR1 | |
| SCHEMBL8112158 | 0.73 | PDE10A (0.47) | CYSLTR1CYSLTR2LMNAPDE10AGPBAR1 | |
| SCHEMBL27595473 | 0.73 | SMN1; SMN2 (0.51) | CYSLTR1CYSLTR2LMNACYP1A2CYP2C19 | |
| SCHEMBL27863137 | 0.73 | ALDH1A1 (0.36) | CYSLTR1CYSLTR2CYP1A2MAPTPDE10A | |
| SCHEMBL7074398 | 0.71 | KDM4E (0.37) | CYP1A2MAPTPDE10A | |
| SCHEMBL28119918 | 0.71 | TSHR (0.41) | CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL13726690 | 0.71 | ALDH1A1 (0.43) | DRD4DRD2DRD3HDAC6FFAR1 | |
| SCHEMBL6665065 | 0.71 | LOXL2 (0.41) | CYP1A2MAPTPDE10A | |
| SCHEMBL9971271 | 0.71 | KDM4E (0.44) | LMNACYP1A2PDE10A | |
| SCHEMBL5741619 | 0.71 | KDM4E (0.39) | CYSLTR1CYSLTR2CYP1A2MAPTPDE10A |
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-1345925-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002050065-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-06-27 | — | — | WO | disclosed |