Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904863 | 0.87 | CCR5 (0.34) | MCHR1SLC6A2KDM4EPOLBSLC6A3 | |
| SCHEMBL2902344 | 0.86 | CCR5 (0.36) | MCHR1SLC6A2KDM4EPOLBMAPK1 | |
| SCHEMBL2905202 | 0.77 | CHRM1 (0.36) | MCHR1SLC6A2HTR2AHTR2CHRH3 | |
| SCHEMBL2904631 | 0.77 | MCHR1 (0.40) | MCHR1KDM4EHTR2AHTR2CPOLB | |
| SCHEMBL2901695 | 0.76 | ALOX15 (0.36) | KDM4EHTR2ASMN1; SMN2 | |
| SCHEMBL2908495 | 0.74 | MCHR1 (0.35) | MCHR1KDM4EPOLBMAPK1TSHR | |
| SCHEMBL2902633 | 0.73 | BACE1 (0.37) | SLC6A2MAPK1SLC6A3HRH3CHRM2 | |
| SCHEMBL2902350 | 0.71 | TTK (0.35) | HTR2AHRH3ADRA2AOPRM1 | |
| SCHEMBL2909897 | 0.69 | KCNH2 (0.56) | SLC6A2KDM4EHTR2AHTR2CMAPK1 | |
| SCHEMBL2908475 | 0.66 | KCNA3 (0.36) | KDM4EMAPK1OPRM1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1611107-B1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GMBH (DE) | 2010-08-18 | — | — | EP | claimed |