Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.34 |
| ▸ | PRKCB | P05771 | 1/20 | 0.34 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | PRKCH | P24723 | 1/20 | 0.34 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL10005232 | 0.89 | HTR2A (0.37) | CHRM2CHRM4CHRM5CHRM3HRH3 | |
| SCHEMBL3360174 | 0.84 | HRH3 (0.42) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL3359924 | 0.77 | CHKA (0.41) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL25565525 | 0.76 | PRKCG (0.44) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL13887867 | 0.76 | SLC6A2 (0.42) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL1372038 | 0.76 | SIGMAR1 (0.47) | HRH3HRH1GAAPRKCGPRKCB | |
| SCHEMBL13887879 | 0.76 | SLC6A2 (0.42) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL18390906 | 0.74 | SIGMAR1 (0.43) | HRH3HRH4HRH1GAAPRKCG | |
| SCHEMBL12359568 | 0.74 | LMNA (0.39) | HRH3HRH4HTR2AHTR2CHRH1 | |
| SCHEMBL23011824 | 0.74 | HTR2A (0.34) | HRH3HRH4HTR2AHTR2CHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018106641-A1 | PYRAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |