Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5174552 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TDP1CSNK2A1CYP2A6 | |
| SCHEMBL18424825 | 0.85 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1PTGS2PTGS1 | |
| SCHEMBL28820908 | 0.84 | CA2 (0.55) | TDP1CSNK2A1PTGS2PTGS1LMNA | |
| SCHEMBL27680510 | 0.84 | TSHR (0.47) | ALDH1A1HSD17B10TDP1CSNK2A1CYP2A6 | |
| SCHEMBL28022298 | 0.84 | PTGS2 (0.59) | PTGS2PTGS1LMNA | |
| SCHEMBL28971555 | 0.81 | ALOX5 (0.52) | ALDH1A1HSD17B10TDP1PTGS2PTGS1 | |
| SCHEMBL5890629 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1PTGS2PTGS1 | |
| SCHEMBL5891267 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HSD17B10TDP1PTGS2PTGS1 | |
| SCHEMBL6191311 | 0.80 | ESR2 (0.50) | ALDH1A1HSD17B10TDP1PTGS2LMNA | |
| SCHEMBL2324855 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TDP1PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110317137-B | 9, 10-anthraquinone compound or pharmaceutically acceptable salt thereof and pharmaceutical application thereof | 复旦大学 | 2022-04-19 | — | — | CN | disclosed |