Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 2/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.30 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL23901319 | 0.86 | ADRB2 (0.40) | PTGDR2ADRB2ADRB1TRPV4CNR2 | |
| SCHEMBL31391641 | 0.82 | PTGDR2 (0.34) | PTGDR2ADRB2ADRB1CTSAAR | |
| SCHEMBL23901224 | 0.82 | PTGDR2 (0.34) | PTGDR2ADRB2ADRB1CTSAAR | |
| SCHEMBL31391708 | 0.79 | DPP4 (0.30) | — | |
| SCHEMBL30451162 | 0.78 | PTGDR2 (0.36) | PTGDR2ADRB2ADRB1TRPV4S1PR3 | |
| SCHEMBL3512198 | 0.78 | PTGDR2 (0.36) | PTGDR2ADRB2ADRB1TRPV4CNR2 | |
| SCHEMBL30452122 | 0.78 | PTGDR2 (0.36) | PTGDR2ADRB2ADRB1TRPV4CNR2 | |
| SCHEMBL28659050 | 0.78 | PTGDR2 (0.36) | PTGDR2ADRB2ADRB1TRPV4S1PR3 | |
| SCHEMBL3511297 | 0.78 | ADRB2 (0.37) | PTGDR2ADRB2ADRB1TRPV4S1PR3 | |
| SCHEMBL28999529 | 0.77 | TACR1 (0.37) | — |
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 |