Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 2/20 | 0.39 |
| ▸ | MC5R | P33032 | 1/20 | 0.39 |
| ▸ | MC3R | P41968 | 1/20 | 0.39 |
| ▸ | MC1R | Q01726 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17118054 | 0.86 | HTR2A (0.49) | HTR2AHTR2CCHRM2CA12CA1 | |
| SCHEMBL16806760 | 0.77 | HDAC1 (0.60) | — | |
| SCHEMBL16806754 | 0.77 | HTR2A (0.44) | HTR2AHTR2CKMT2A | |
| SCHEMBL2263387 | 0.76 | HTR2A (0.48) | HTR2AHTR2CMPONR3C1PGR | |
| SCHEMBL5948742 | 0.74 | NR3C1 (0.48) | NR3C1PGRNR3C2ARMEN1 | |
| SCHEMBL2260650 | 0.74 | HTR2A (0.55) | HTR2AHTR2CNR3C1PGRNR3C2 | |
| SCHEMBL4985160 | 0.74 | PKM (0.47) | HTR2AHTR2CMC5RMC1RMEN1 | |
| SCHEMBL2260646 | 0.73 | HTR2A (0.46) | HTR2AHTR2CNR3C1PGRNR3C2 | |
| SCHEMBL31369960 | 0.72 | KEAP1 (0.46) | HTR2AHTR2CNR3C1PGRNR3C2 | |
| SCHEMBL16806761 | 0.72 | HDAC1 (0.41) | HTR2AHTR2CMPO |
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-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |