Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.48 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22809479 | 0.78 | CYP2C9 (0.53) | CYP2C9CYP17A1CYP2C19PDK2ALDH1A1 | |
| SCHEMBL17303578 | 0.78 | HTR1B (0.52) | HTR1BHTR1DALDH1A1KDM4ELMNA | |
| SCHEMBL19171717 | 0.77 | HTR1B (0.47) | PDK2HTR1BHTR1DALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL28351143 | 0.77 | CYP2C9 (0.51) | CYP2C9CYP17A1CYP2C19PDK2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30450085 | 0.77 | CYP2C9 (0.51) | CYP2C9CYP17A1CYP2C19PDK2ALDH1A1 | |
| SCHEMBL14431365 | 0.76 | PDK2 (0.47) | PDK2HTR1BHTR1DALDH1A1KDM4E | |
| SCHEMBL5539798 | 0.76 | HTR1B (0.58) | CYP2C9CYP2C19HTR1BHTR1DALDH1A1 | |
| SCHEMBL10498275 | 0.75 | CYP17A1 (0.57) | CYP2C9CYP17A1CYP2C19ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL27174649 | 0.75 | HTR1B (0.56) | CYP2C9CYP2C19HTR1BHTR1DALDH1A1 | |
| SCHEMBL1760893 | 0.74 | L3MBTL1 (0.58) | PDK2HTR1BHTR1DALDH1A1KDM4E |
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-3487839-B1 | AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS | RAQUALIA PHARMA INC (JP) | 2020-12-23 | — | — | EP | disclosed |