Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | CTSA | P10619 | 2/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23901317 | 0.86 | PTGDR2 (0.37) | ADRB2ADRB1PTGDR2TRPV3CNR2 | |
| SCHEMBL23901224 | 0.81 | PTGDR2 (0.34) | ADRB2ADRB1PTGDR2CTSA | |
| SCHEMBL31391641 | 0.81 | PTGDR2 (0.34) | ADRB2ADRB1PTGDR2CTSA | |
| SCHEMBL3512198 | 0.80 | PTGDR2 (0.36) | ADRB2ADRB1PTGDR2CNR2S1PR3 | |
| SCHEMBL30452122 | 0.80 | PTGDR2 (0.36) | ADRB2ADRB1PTGDR2CNR2S1PR3 | |
| SCHEMBL31391744 | 0.79 | FFAR1 (0.30) | — | |
| SCHEMBL23901091 | 0.76 | ADRB2 (0.35) | ADRB2TRPV3IDO1 | |
| SCHEMBL3511297 | 0.76 | ADRB2 (0.37) | ADRB2ADRB1PTGDR2TRPV3S1PR3 | |
| SCHEMBL8510799 | 0.76 | ADRB2 (0.46) | ADRB2ADRB1PTGDR2TRPV3S1PR3 | |
| SCHEMBL8510797 | 0.76 | ADRB2 (0.46) | ADRB2ADRB1PTGDR2TRPV3S1PR3 |
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 |