Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.41 |
| ▸ | COPS5 | Q92905 | 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 | |
|---|---|---|---|---|
| SCHEMBL1907892 | 0.93 | AKT1 (0.46) | AKT1ROCK2PIM1PRKACAFGFR3 | |
| SCHEMBL1907890 | 0.93 | AKT1 (0.46) | AKT1ROCK2PIM1PRKACAFGFR3 | |
| Trifluoroacetic Acid SCHEMBL1432041 | 0.83 | MASP2 (0.46) | OPRK1AKT1ROCK2PIM1PRKACA | |
| Trifluoroacetic Acid SCHEMBL1907847 | 0.82 | CTSS (0.41) | DRD2HRH2HRH1DRD3HRH4 | |
| SCHEMBL1908220 | 0.78 | CTSS (0.64) | CTSSCTSK | |
| SCHEMBL7860770 | 0.76 | EGFR (0.53) | HRH4AKT1ROCK2PIM1PRKACA | |
| SCHEMBL7860766 | 0.76 | EGFR (0.53) | HRH4AKT1ROCK2PIM1PRKACA | |
| SCHEMBL1905660 | 0.76 | MME (0.51) | HRH4CTSSCTSKSIRT2 | |
| SCHEMBL1908181 | 0.76 | HRH4 (0.45) | HRH4CTSSCTSK | |
| SCHEMBL1908183 | 0.76 | HRH4 (0.45) | HRH4CTSSCTSK |
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-2011051673-A1 | AMINOTHIAZOLE DERIVATIVES USEFUL AS KLK1 INHIBITORS | VANTIA LIMITED (GB) | 2011-05-05 | — | — | WO | disclosed |