Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2904637 | 0.91 | TP53 (0.33) | MEN1KMT2AMAPK1HTR1AADORA2A | |
| SCHEMBL2909769 | 0.90 | ADRB2 (0.35) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL2904850 | 0.87 | NTRK1 (0.34) | MEN1KMT2AMAPK1 | |
| SCHEMBL2902633 | 0.79 | BACE1 (0.37) | MEN1KMT2AMAPK1DRD3ADRB2 | |
| SCHEMBL2905202 | 0.78 | CHRM1 (0.36) | MAPK14GSK3BPIK3R1PIK3CAMAPK11 | |
| SCHEMBL2904868 | 0.77 | CHRM3 (0.37) | MEN1KMT2AMAPK1ADRB2ADRB1 | |
| SCHEMBL2907737 | 0.72 | LMNA (0.33) | PTGDR2MAPK14GSK3BPIK3R1PIK3CA | |
| SCHEMBL2909335 | 0.72 | HRH3 (0.43) | MEN1KMT2ADRD3HTR1APIK3R1 | |
| SCHEMBL2904844 | 0.70 | OPRD1 (0.40) | MEN1KMT2AHTR1AHTR7PIK3R1 | |
| SCHEMBL2903266 | 0.70 | P4HB (0.41) | PIK3R1PIK3CAADORA2AADORA1 |
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 |