Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.57 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | FLT3 | P36888 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.48 |
| ▸ | CSF1R | P07333 | 1/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.48 |
| ▸ | TYK2 | P29597 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.48 |
| ▸ | FLT4 | P35916 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.48 |
| ▸ | STK3 | Q13188 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30184009 | 0.92 | KDM4E (0.55) | ATRKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL25590402 | 0.92 | KDM4E (0.55) | ATRKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL25590490 | 0.89 | ATR (0.58) | ATRMAPK14KDM4EALDH1A1MEN1 | |
| SCHEMBL25590666 | 0.85 | MAOB (0.53) | ATRKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL5405791 | 0.79 | MAOB (0.65) | ROCK2RPS6KB1ROCK1SGK2NPC1 | |
| SCHEMBL25591508 | 0.78 | KDR (0.49) | ATRKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL25591775 | 0.77 | MAOB (0.62) | KDM4EALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL25590400 | 0.76 | CLK2 (0.46) | ATRKDM4EALDH1A1MEN1MAPT | |
| SCHEMBL2509630 | 0.73 | ATR (1.00) | ATR | |
| SCHEMBL16518898 | 0.72 | ROCK2 (0.61) | KDM4EALDH1A1MEN1KMT2AROCK2 |
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 |