Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.79 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.79 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.54 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.46 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | POLA1 | P09884 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
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 SCHEMBL8049447 | 0.98 | CYP2D6 (0.77) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL8055803 | 0.95 | CYP2D6 (0.81) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| Hydrochloric Acid SCHEMBL8053388 | 0.94 | CYP2D6 (0.79) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL8053292 | 0.88 | CYP2D6 (1.00) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| Hydrochloric Acid SCHEMBL8049480 | 0.87 | CYP2D6 (0.97) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL11752857 | 0.84 | CYP2D6 (0.64) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL28265778 | 0.83 | CYP2D6 (0.68) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL16701354 | 0.83 | CYP2D6 (0.63) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL7117794 | 0.83 | CYP2D6 (0.62) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 | |
| SCHEMBL7124897 | 0.83 | CYP2D6 (0.62) | CYP2D6CYP2C19SMN1; SMN2ALDH1A1HRH4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7326717-B2 | Pyrimidine n-oxide compounds for stimulating the growth of keratin fibers and/or reducing loss thereof | L'OREAL (FR) | 2008-02-05 | — | — | US | disclosed |
| US-6080750-A | FOR PROPHYLAXIS AND TREATMENT OF DISEASES CAUSED BY INFECTION BY ROTAVIRUS | NIPPON SHOJI KAISHA LTD. (JP) | 2000-06-27 | — | — | US | disclosed |
| EP-0806418-A2 | Novel pyrimidine compound and anti-rotavirus agent | NIPPON SHOJI KAISHA, LIMITED (JP) | 1997-11-12 | — | — | EP | disclosed |