Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 6/20 | 0.53 |
| ▸ | HTR2A | P28223 | 5/20 | 0.53 |
| ▸ | HTR1A | P08908 | 4/20 | 0.53 |
| ▸ | DRD2 | P14416 | 4/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | TMEM97 | Q5BJF2 | 3/20 | 0.53 |
| ▸ | HRH1 | P35367 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | DRD5 | P21918 | 1/20 | 0.49 |
| ▸ | HRH2 | P25021 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21659290 | 0.83 | HRH3 (0.79) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL20372647 | 0.79 | HRH3 (0.71) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL21659286 | 0.77 | HRH3 (0.66) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL27681366 | 0.77 | MAPT (0.53) | RAB9ANPC1ALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL23855511 | 0.76 | HRH3 (0.64) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL21659428 | 0.76 | HRH3 (0.68) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL19091219 | 0.76 | RAB9A (0.79) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL8360712 | 0.74 | RAB9A (0.68) | HRH3RAB9ANPC1DRD3HTR2A | |
| SCHEMBL12050742 | 0.74 | HRH3 (1.00) | HRH3RAB9ANPC1HRH1KCNH2 | |
| SCHEMBL76269 | 0.73 | RAB9A (0.66) | HRH3RAB9ANPC1DRD3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101035769-A | Pyrimidine urea derivatives as kinase inhibitors | NOVARTIS AG (CH) | 2007-09-12 | — | — | CN | disclosed |