Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 4/20 | 0.34 |
| ▸ | CES1 | P23141 | 4/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31391634 | 0.84 | CES2 (0.31) | CES2CES1 | |
| SCHEMBL2277159 | 0.81 | MAPT (0.56) | CTSLCES2CES1MAOBNPC1 | |
| SCHEMBL2284069 | 0.81 | IDO1 (0.43) | CTSLMAOBNPC1RAB9APGR | |
| SCHEMBL28303717 | 0.77 | CES2 (0.52) | CES2CES1CA3CA6CA5A | |
| SCHEMBL380521 | 0.75 | IDO1 (0.37) | CTSLCES2CES1MAOBNPC1 | |
| SCHEMBL29891536 | 0.75 | IDO1 (0.37) | CTSLCES2CES1MAOBNPC1 | |
| SCHEMBL2287836 | 0.73 | ALOX15 (0.46) | RAB9AMAPTHTTPDE4APDE4B | |
| SCHEMBL2277513 | 0.72 | PDE4A (0.43) | NPC1RAB9AMAPTHTTPDE4A | |
| SCHEMBL28095895 | 0.70 | NPC1 (0.36) | CTSLCES2CES1MAOBNPC1 | |
| SCHEMBL6203814 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916771-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |