Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 13/20 | 0.43 |
| ▸ | HTR2B | P41595 | 12/20 | 0.43 |
| ▸ | HTR2A | P28223 | 11/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20897971 | 0.98 | HTR2C (0.42) | HTR2CHTR2BHTR2AHRH3HRH4 | |
| SCHEMBL20897963 | 0.79 | PRKACA (0.39) | HTR2CHTR2BHTR2AHRH3PNMT | |
| SCHEMBL20898260 | 0.77 | HTR2C (0.49) | HTR2CHTR2BHTR2AHRH3HRH4 | |
| Hydrochloric Acid SCHEMBL20897928 | 0.77 | PRKACA (0.38) | HTR2CHTR2BHTR2AHRH3PNMT | |
| Hydrochloric Acid SCHEMBL16322269 | 0.76 | HTR2C (0.47) | HTR2CHTR2BHTR2AHRH4PNMT | |
| SCHEMBL20897973 | 0.70 | SRD5A2 (0.38) | HRH4 | |
| SCHEMBL20897988 | 0.69 | BTK (0.42) | HTR2AHRH4HTR1A | |
| SCHEMBL15566395 | 0.69 | NFE2L2 (0.42) | HTR2CHTR2BHTR2AHRH3 | |
| Hydrochloric Acid SCHEMBL459695 | 0.68 | NFE2L2 (0.41) | HTR2CHTR2BHTR2AHRH3 | |
| SCHEMBL22265795 | 0.67 | HRH3 (0.39) | HTR2CHTR2BHTR2AHRH3ADCY6 |
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-2019072978-A1 | MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS | Basilea Pharmaceutica International AG (CH) | 2019-04-18 | — | — | WO | disclosed |