Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 6/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1514381 | 1.00 | GRM1 (0.47) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| Hydrochloric Acid SCHEMBL1514298 | 0.99 | GRM1 (0.46) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| SCHEMBL27960788 | 0.83 | GRM1 (0.49) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| SCHEMBL29907658 | 0.80 | CYP2D6 (0.47) | GRM1CYP3A4CYP2D6HRH4HRH3 | |
| SCHEMBL2711243 | 0.80 | GRM1 (0.44) | GRM1CYP3A4CYP2D6KDM4ERECQL | |
| SCHEMBL1421267 | 0.79 | ROCK2 (0.44) | PRKCQHRH4HRH3ROCK2ROCK1 | |
| SCHEMBL20129683 | 0.79 | DPP4 (0.47) | GRM1KDM4EDPP4PIM1PIM3 | |
| SCHEMBL12835705 | 0.79 | DPP4 (0.47) | GRM1KDM4EDPP4PIM1PIM3 | |
| SCHEMBL1514427 | 0.78 | KDM4E (0.64) | GRM1KDM4ERECQLDPP4 | |
| SCHEMBL5615322 | 0.78 | KDM4E (0.64) | GRM1KDM4ERECQLDPP4 |
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-2011025799-A1 | CATHEPSIN C INHIBITORS | GLAXO GROUP LIMITED (GB) | 2011-03-03 | — | — | WO | disclosed |