Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.42 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.36 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31235677 | 0.83 | NUDT1 (0.49) | ABL1AURKAAURKBINCENPJAK3 | |
| SCHEMBL2101504 | 0.83 | NUDT1 (0.49) | ABL1AURKAAURKBINCENPJAK3 | |
| SCHEMBL2101505 | 0.73 | AURKA (0.56) | DAONAPRTAURKAAURKBINCENP | |
| SCHEMBL149989 | 0.72 | MAPT (0.57) | DAONAPRTAURKAAURKBINCENP | |
| SCHEMBL22501793 | 0.72 | ABL1 (0.46) | ABL1AURKAAURKBINCENPNPC1 | |
| SCHEMBL6764983 | 0.72 | CYP3A4 (0.53) | NPC1MAPTRAB9AATMDYRK1A | |
| SCHEMBL2100160 | 0.72 | MAPT (0.58) | DAONAPRTAURKAAURKBINCENP | |
| Hydrochloric Acid SCHEMBL29878602 | 0.71 | MAPT (0.55) | DAONAPRTAURKAAURKBINCENP | |
| SCHEMBL11465256 | 0.71 | MAPT (0.60) | DAONAPRTAURKAAURKBINCENP | |
| Hydrochloric Acid SCHEMBL30730902 | 0.71 | MAPT (0.56) | DAOAURKAAURKBINCENPNPC1 |
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-0807632-A1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |