Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 6/20 | 0.39 |
| ▸ | FLT3 | P36888 | 5/20 | 0.39 |
| ▸ | TYK2 | P29597 | 4/20 | 0.39 |
| ▸ | JAK1 | P23458 | 3/20 | 0.39 |
| ▸ | JAK3 | P52333 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25591482 | 0.89 | FGFR1 (0.44) | HTTJAK2TYK2JAK1JAK3 | |
| SCHEMBL25590476 | 0.86 | MAOB (0.42) | ALDH1A1HTTGSK3BDYRK1AMAPT | |
| SCHEMBL25590895 | 0.85 | CLK2 (0.44) | DYRK1AATRNAMPTMAPT | |
| SCHEMBL25590905 | 0.80 | ABL1 (0.42) | HTTMAPTLMNANPC1RAB9A | |
| SCHEMBL25590474 | 0.80 | ATR (0.51) | ALDH1A1ATRNAMPTMAPTNPC1 | |
| SCHEMBL25590670 | 0.78 | ABL1 (0.47) | ATRMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25590395 | 0.76 | IDO1 (0.48) | ALDH1A1GSK3BDYRK1AATRNPC1 | |
| SCHEMBL25590389 | 0.76 | NPC1 (0.47) | DYRK1ANAMPTMAPTNPC1RAB9A | |
| SCHEMBL25590401 | 0.76 | AURKB (0.52) | DYRK1AATRNPC1RAB9AKDM4E | |
| SCHEMBL25593585 | 0.75 | ATR (0.43) | ATRMAPTRAB9AIDO1 |
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 |