Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.46 |
| ▸ | ATR | Q13535 | 4/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PLAT | P00750 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25590497 | 0.88 | LRRK2 (0.45) | LRRK2PTGER4MAPTKMT2ATP53 | |
| SCHEMBL25590489 | 0.83 | ATR (0.45) | ATRPTGER4ADORA3MAPTKMT2A | |
| SCHEMBL25590677 | 0.74 | ATR (0.40) | ATRPTGER4ADORA3MAPTKMT2A | |
| SCHEMBL25590474 | 0.73 | ATR (0.51) | ATRADORA3MAPTKMT2ATP53 | |
| SCHEMBL25593585 | 0.73 | ATR (0.43) | ATRPTGER4MAPTKMT2ATHRB | |
| SCHEMBL25590490 | 0.73 | ATR (0.58) | ATRMAPTKMT2AALDH1A1MEN1 | |
| SCHEMBL25590495 | 0.73 | RAB9A (0.55) | ATRMAPTKMT2ATP53ALDH1A1 | |
| SCHEMBL25593240 | 0.72 | FLT3 (0.49) | LRRK2ATRADORA3MAPTTP53 | |
| SCHEMBL25593788 | 0.71 | ATR (0.48) | LRRK2ATRKMT2ATP53ALDH1A1 | |
| SCHEMBL25590670 | 0.70 | ABL1 (0.47) | ATRMAPTKMT2ATP53MEN1 |
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-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |