Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30954388 | 0.80 | CES2 (0.59) | CES2CES1HCAR1SLC6A3CA12 | |
| SCHEMBL2410692 | 0.79 | CES2 (0.61) | CES2CES1MEN1KMT2ANPC1 | |
| SCHEMBL6972626 | 0.78 | CES2 (0.56) | CES2CES1HCAR1SLC6A3CA12 | |
| SCHEMBL28270453 | 0.76 | CES2 (0.54) | CES2CES1CA1MEN1KMT2A | |
| SCHEMBL10228062 | 0.76 | CES2 (0.54) | CES2CES1HCAR1SLC6A3CA12 | |
| SCHEMBL521670 | 0.76 | CA1 (0.58) | CES2CES1SLC6A3CA12CA1 | |
| SCHEMBL28803913 | 0.73 | CA12 (0.60) | HCAR1CA12CA1CA9LMNA | |
| SCHEMBL29062216 | 0.72 | CES2 (0.62) | CES2CES1HCAR1SLC6A3CA12 | |
| SCHEMBL27964419 | 0.71 | TPMT (0.52) | HCAR1CA12CA1CA9MEN1 | |
| SCHEMBL1401499 | 0.71 | CA1 (0.58) | CES2CES1CA12CA1CA9 |
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-109661392-A | For treating the mitochondrial inhibitors of proliferative disorder | 巴斯利尔药物国际股份公司 | 2019-04-19 | — | — | CN | disclosed |