Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | FAP | Q12884 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10058121 | 0.80 | KCNH2 (0.56) | KCNH2GNAI3GNAO1GNAI1SLC6A2 | |
| SCHEMBL2012943 | 0.77 | — | — | |
| SCHEMBL1781000 | 0.77 | — | — | |
| SCHEMBL1782773 | 0.77 | — | — | |
| SCHEMBL15688463 | 0.77 | — | — | |
| SCHEMBL1447276 | 0.76 | KCNH2 (0.55) | KCNH2GNAI3GNAO1GNAI1SLC6A2 | |
| SCHEMBL1448222 | 0.76 | KCNH2 (0.55) | KCNH2GNAI3GNAO1GNAI1SLC6A2 | |
| Hydrochloric Acid SCHEMBL15668025 | 0.75 | KCNH2 (0.95) | KCNH2GNAI3GNAO1GNAI1SLC6A2 | |
| Hydrochloric Acid SCHEMBL7007471 | 0.75 | KCNH2 (0.95) | KCNH2GNAI3GNAO1GNAI1SLC6A2 | |
| Hydrochloric Acid SCHEMBL15668022 | 0.75 | KCNH2 (0.95) | KCNH2GNAI3GNAO1GNAI1SLC6A2 |
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-3521290-A1 | CRYSTALS OF [2-(1-METHYL-1H-PYRAZOL-4-YL)-6-(MORPHOLIN-4-YL)-9H-PURIN-8-YL][4-(MORPHOLIN-4-YL)PIPERIDIN-1-YL]METHANONE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2019-08-07 | — | — | EP | disclosed |