Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.30 |
| ▸ | EDNRA | P25101 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28886008 | 0.88 | AKR1B10 (0.33) | HCAR2CA1CA2CA9ESR1 | |
| SCHEMBL28886013 | 0.84 | TSHR (0.35) | CA1CA2CA9IDO1TP53 | |
| SCHEMBL28886023 | 0.78 | CA1 (0.34) | HCAR2CA1CA2CA9NPC1 | |
| SCHEMBL28762265 | 0.73 | CETP (0.33) | CA1CA2CA9IDO1TP53 | |
| SCHEMBL8670851 | 0.68 | ATM (0.37) | CA1CA2CA9NPC1RAB9A | |
| SCHEMBL2590168 | 0.67 | CA1 (0.44) | HCAR2CA1CA2CA9NPC1 | |
| SCHEMBL145441 | 0.67 | CA1 (0.44) | HCAR2CA1CA2CA9NPC1 | |
| Benzene SCHEMBL28923385 | 0.67 | CA1 (0.44) | HCAR2CA1CA2CA9NPC1 | |
| SCHEMBL8669946 | 0.67 | RAB9A (0.41) | CA1CA2CA9ESR1ESR2 | |
| SCHEMBL5684942 | 0.67 | HCAR2 (0.33) | HCAR2CA1CA2CA9NPC1 |
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-114057961-B | Polymer double-chain/inorganic nanoparticle composite Janus material and preparation method thereof | 清华大学 | 2022-11-18 | — | — | CN | claimed |