Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 6/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.37 |
| ▸ | KDM6B | O15054 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23889288 | 0.77 | AOC1 (0.69) | AOC1AOC3PTGS1PTGS2CYP2E1 | |
| SCHEMBL23571818 | 0.76 | PTGS1 (0.37) | AOC1AOC3PTGS1PTGS2KDM4C | |
| SCHEMBL15087874 | 0.76 | AOC1 (0.71) | AOC1AOC3PTGS1PTGS2CYP2E1 | |
| SCHEMBL10310091 | 0.73 | KDM4C (0.61) | AOC1AOC3PTGS1PTGS2CYP2E1 | |
| SCHEMBL12320185 | 0.71 | PTGS1 (0.68) | PTGS1PTGS2 | |
| SCHEMBL20732522 | 0.71 | KDM4C (0.44) | AOC1AOC3PTGS1KDM4CKDM6B | |
| SCHEMBL10299406 | 0.70 | AOC1 (0.42) | AOC1AOC3PTGS1PTGS2CYP2E1 | |
| SCHEMBL877689 | 0.69 | CYP2E1 (0.48) | AOC1AOC3CYP2E1CYP2C8CYP2D6 | |
| SCHEMBL24113649 | 0.68 | CYP2E1 (0.38) | AOC1AOC3PTGS1CYP2E1CYP2C8 | |
| SCHEMBL11564155 | 0.68 | CYP2E1 (0.47) | AOC1AOC3CYP2E1CYP2C8CYP2D6 |
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-2021104413-A1 | FUSED PYRIDINE RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2021-06-03 | — | — | WO | disclosed |