Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 2/20 | 0.47 |
| ▸ | ATR | Q13535 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25591776 | 0.88 | ABL1 (0.50) | ABL1MAPTTDO2NPC1RAB9A | |
| SCHEMBL25593788 | 0.87 | ATR (0.48) | ATRTDO2NPC1RAB9APRKDC | |
| SCHEMBL25590671 | 0.85 | SMN1; SMN2 (0.46) | ABL1MAPTKDM4ENPC1RAB9A | |
| SCHEMBL25590474 | 0.83 | ATR (0.51) | ABL1ATRMAPTKDM4ENPC1 | |
| SCHEMBL25590897 | 0.78 | ALDH1A1 (0.47) | ATRMAPTKDM4ENPC1RAB9A | |
| SCHEMBL25590895 | 0.76 | CLK2 (0.44) | ABL1ATRMAPT | |
| SCHEMBL25590768 | 0.76 | KDR (0.51) | MAPTTDO2NPC1RAB9ATP53 | |
| SCHEMBL25590383 | 0.73 | ATR (0.49) | ABL1ATRMAPTNPC1RAB9A | |
| SCHEMBL25593585 | 0.73 | ATR (0.43) | ATRMAPTRAB9AKMT2A | |
| SCHEMBL25590495 | 0.73 | RAB9A (0.55) | ATRMAPTKDM4ENPC1RAB9A |
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 |