Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL20764902 | 0.83 | PARP1 (0.35) | CES2CES1IDO1CYP1A2 | |
| SCHEMBL1759520 | 0.80 | CES2 (0.50) | CES2CES1SHBG | |
| SCHEMBL16955915 | 0.79 | KDM1A (0.35) | KDM1AKCNH2KDM1BKIF11SLC6A4 | |
| SCHEMBL29903264 | 0.79 | UGT2B7 (0.44) | KDM1AKCNH2KDM1BCES2CES1 | |
| SCHEMBL14966853 | 0.79 | UGT2B7 (0.44) | KDM1AKCNH2KDM1BCES2CES1 | |
| SCHEMBL16952912 | 0.79 | ADRB2 (0.36) | KDM1AKCNH2KDM1BKIF11SLC6A4 | |
| SCHEMBL16953177 | 0.78 | KDM1A (0.34) | KDM1AKCNH2KDM1BKIF11SLC6A4 | |
| SCHEMBL16957438 | 0.76 | SLC6A4 (0.35) | KDM1AKCNH2KDM1BSLC6A4 | |
| SCHEMBL19137400 | 0.76 | KDM1A (0.33) | KDM1AKCNH2KDM1BCES2CES1 | |
| SCHEMBL29887420 | 0.76 | KDM1A (0.33) | KDM1AKCNH2KDM1BCES2CES1 |
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-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |