Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23409644 | 0.81 | MAPT (0.39) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL23409942 | 0.80 | KMT2A (0.51) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL23409643 | 0.79 | CYP11B1 (0.40) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL23409221 | 0.78 | POLB (0.42) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL23409630 | 0.77 | CYP11B1 (0.35) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL23409730 | 0.77 | POLB (0.41) | KMT2ATDP1CYP11B1CYP11B2 | |
| SCHEMBL7132234 | 0.73 | CA12 (0.40) | OPRM1KMT2AOPRK1 | |
| SCHEMBL18823656 | 0.65 | CES1 (0.47) | OPRM1KMT2ACYP11B1CYP11B2OPRK1 | |
| SCHEMBL18823657 | 0.65 | NPC1 (0.55) | — | |
| SCHEMBL7138423 | 0.62 | CYP11B1 (0.66) | KMT2ATDP1CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021098737-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | 上海枢境生物科技有限公司 | 2021-05-27 | — | — | WO | disclosed |