Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.37 |
| ▸ | CTSS | P25774 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| Bromo Benzyl Cyanide SCHEMBL28327913 | 0.83 | TRPA1 (0.61) | TRPA1CTSK | |
| SCHEMBL332680 | 0.82 | ENPP2 (0.53) | ENPP2MMP3TAAR1MAOBIDO1 | |
| Bromo Benzyl Cyanide SCHEMBL437646 | 0.75 | TRPA1 (1.00) | TRPA1TAAR1 | |
| Bromo Benzyl Cyanide SCHEMBL27315132 | 0.75 | TRPA1 (1.00) | TRPA1TAAR1 | |
| SCHEMBL19717326 | 0.73 | TRPA1 (0.54) | TRPA1ENPP2MMP3KDM4ETDP1 | |
| Bromo Benzyl Cyanide SCHEMBL28184937 | 0.73 | TRPA1 (0.95) | TRPA1TAAR1 | |
| Bromo Benzyl Cyanide SCHEMBL11220656 | 0.73 | TRPA1 (0.95) | TRPA1TAAR1 | |
| Bromo Benzyl Cyanide SCHEMBL30600116 | 0.73 | TRPA1 (0.95) | TRPA1TAAR1 | |
| SCHEMBL1977958 | 0.71 | ESR1 (0.44) | TRPA1CTSBCTSSCTSKCTSL | |
| Benzene SCHEMBL5438521 | 0.71 | ENPP2 (0.61) | ENPP2MMP3MAOBKDM4ETDP1 |
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-110294744-A | GPR40 receptor stimulating agent, its preparation method and its pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-10-01 | — | — | CN | disclosed |