Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.33 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18860850 | 0.83 | CYP2A6 (0.37) | ALDH1A1KDM4ELMNAPTPN1MAPT | |
| SCHEMBL18031340 | 0.75 | NR4A2 (0.40) | NR4A2MAPTAURKBPIM1CDC7 | |
| SCHEMBL20351754 | 0.75 | BRD4 (0.40) | ALDH1A1NR4A2MAPTPIM1CDC7 | |
| SCHEMBL10396846 | 0.74 | NR4A2 (0.47) | PTGS1NR4A2MAPTPOLBERCC1 | |
| SCHEMBL22200868 | 0.73 | ALDH1A1 (0.40) | PTGS1ALDH1A1KDM4ELMNAPTPN1 | |
| SCHEMBL23158698 | 0.72 | NR4A2 (0.38) | PTGS1ALDH1A1KDM4ENR4A2AURKB | |
| SCHEMBL14949020 | 0.72 | MAPT (0.36) | ALDH1A1NR4A2MAPTPOLBPIM1 | |
| SCHEMBL363193 | 0.72 | KDM4E (0.46) | ALDH1A1KDM4ELMNAAURKBBCL2L1 | |
| SCHEMBL17233734 | 0.71 | AURKB (0.42) | PTGS1ALDH1A1KDM4EPTPN1AURKB | |
| SCHEMBL29757272 | 0.71 | IKBKB (0.43) | PTGS1AURKBPIM1CDC7GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3299369-A1 | PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2018-03-28 | — | — | EP | disclosed |