Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA1 | P02708 | 3/20 | 0.60 |
| ▸ | CHRNG | P07510 | 3/20 | 0.60 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.60 |
| ▸ | CHRND | Q07001 | 3/20 | 0.60 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.59 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.59 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.56 |
| ▸ | MME | P08473 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.54 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.54 |
| ▸ | ACE | P12821 | 4/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 1/20 | 0.51 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.50 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL27840664 | 0.93 | MME (0.63) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4160723 | 0.93 | MME (0.63) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4162323 | 0.93 | MME (0.63) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4160727 | 0.93 | MME (0.63) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4162326 | 0.93 | MME (0.63) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4161392 | 0.89 | ACE (0.62) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4161387 | 0.89 | ACE (0.62) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| Phenethylamine SCHEMBL21546102 | 0.87 | CHRNA1 (0.64) | CHRNA1CHRNGCHRNB1CHRNDITGB3 | |
| SCHEMBL4144665 | 0.86 | ITGB3 (0.65) | ITGB3ITGA2BMMEACECTSL | |
| SCHEMBL4144668 | 0.86 | ITGB3 (0.65) | ITGB3ITGA2BMMEACECTSL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112384495-A | Novel modulators of metabolic and ion channel transmembrane receptors and uses thereof | IBD治疗学有限责任公司 | 2021-02-19 | — | — | CN | claimed |
| CN-112384495-B | Novel modulators of metabotropic and ion-channel transmembrane receptors and uses thereof | IBD治疗学有限责任公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-112384495-B | Novel modulators of metabotropic and ion-channel transmembrane receptors and uses thereof | IBD治疗学有限责任公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-112384495-A | Novel modulators of metabolic and ion channel transmembrane receptors and uses thereof | IBD治疗学有限责任公司 | 2021-02-19 | — | — | CN | disclosed |
| CN-112384495-A | Novel modulators of metabolic and ion channel transmembrane receptors and uses thereof | IBD治疗学有限责任公司 | 2021-02-19 | — | — | CN | disclosed |