Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY4 | P51582 | 2/20 | 0.57 |
| ▸ | DHODH | Q02127 | 1/20 | 0.57 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.57 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | FADS1 | O60427 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 5/20 | 0.50 |
| ▸ | STK10 | O94804 | 3/20 | 0.50 |
| ▸ | SLK | Q9H2G2 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | GNG2 | P59768 | 3/20 | 0.49 |
| ▸ | GNB1 | P62873 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11604826 | 0.95 | P2RY2 (0.54) | P2RY4DHODHP2RY2P2RY12MAPK1 | |
| SCHEMBL11538183 | 0.84 | MAPT (0.56) | P2RY4DHODHMAPK1EGFRMAPT | |
| SCHEMBL625150 | 0.84 | MAPT (0.62) | P2RY4DHODHP2RY2P2RY12MAPK1 | |
| SCHEMBL28924521 | 0.82 | ADORA2A (0.58) | P2RY4P2RY2P2RY12MAPK1EGFR | |
| SCHEMBL10809797 | 0.82 | GNG2 (0.61) | P2RY4P2RY2P2RY12MAPK1EGFR | |
| SCHEMBL11600205 | 0.81 | MAPT (0.59) | P2RY4DHODHP2RY2P2RY12MAPK1 | |
| Hydrochloric Acid SCHEMBL28742975 | 0.81 | GNG2 (0.60) | P2RY4P2RY2P2RY12MAPK1EGFR | |
| SCHEMBL21635984 | 0.81 | CYP1A2 (0.59) | P2RY4P2RY2P2RY12MAPK1EGFR | |
| SCHEMBL2612577 | 0.80 | MAPT (0.56) | P2RY4DHODHP2RY2P2RY12MAPK1 | |
| SCHEMBL42481 | 0.80 | MAPT (0.71) | MAPK1EGFRMAPTPABPC1RAB9A |
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-1496975-A | Emodin derivative with anti-tumour activity | 上海恒达科技发展股份有限公司 | 2004-05-19 | — | — | CN | disclosed |