Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL30451162 | 0.78 | PTGDR2 (0.36) | FAAHTRPV4PTGDR2S1PR3AR | |
| SCHEMBL3512198 | 0.78 | PTGDR2 (0.36) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL28659050 | 0.78 | PTGDR2 (0.36) | FAAHTRPV4PTGDR2S1PR3AR | |
| SCHEMBL30452122 | 0.78 | PTGDR2 (0.36) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL3511297 | 0.78 | ADRB2 (0.37) | TRPV4PTGDR2S1PR3ARPGR | |
| SCHEMBL2634051 | 0.77 | FAAH (0.38) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL15792076 | 0.76 | TRPV4 (0.35) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL2634393 | 0.76 | FAAH (0.39) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL23901317 | 0.75 | PTGDR2 (0.37) | FAAHTRPV4PTGDR2CNR2S1PR3 | |
| SCHEMBL23901319 | 0.74 | ADRB2 (0.40) | FAAHTRPV4PTGDR2CNR2S1PR3 |
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-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 |