Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14969183 | 0.76 | KMT2A (0.46) | ALDH1A1TSHRHTTKDM4ETDP1 | |
| SCHEMBL23565181 | 0.73 | ALDH1A1 (0.42) | ALDH1A1TSHRHTTPOLBKDM4E | |
| SCHEMBL23071277 | 0.73 | POLB (0.41) | RXRARXRBRXRGPTGS2POLB | |
| SCHEMBL14968994 | 0.69 | NPC1 (0.51) | ALDH1A1HTTPOLBKDM4ENPC1 | |
| SCHEMBL1133466 | 0.67 | TDP1 (0.66) | ALDH1A1TSHRHTTPOLBKDM4E | |
| SCHEMBL8186274 | 0.67 | ALDH1A1 (0.44) | ALDH1A1TSHRHTTPOLBTDP1 | |
| SCHEMBL23071006 | 0.67 | PLA2G4A (0.46) | ALDH1A1RXRARXRBRXRGPTGS2 | |
| SCHEMBL6476570 | 0.67 | AR (0.53) | ALDH1A1POLBNPC1 | |
| SCHEMBL7094306 | 0.66 | MAPK9 (0.53) | ALDH1A1POLBKDM4ETDP1NPC1 | |
| SCHEMBL23070989 | 0.66 | PLA2G4A (0.36) | ALDH1A1RXRARXRBRXRGPTGS2 |
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-2021043217-A1 | COMPOUND HAVING AXL AND C-MET KINASE INHIBITORY ACTIVITY, PREPARATION THEREOF AND APPLICATION THEREOF | 中国科学院上海药物研究所 | 2021-03-11 | — | — | WO | disclosed |