Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6628288 | 0.82 | CYP1A2 (0.46) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL6877800 | 0.78 | CYP1A2 (0.46) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL14434683 | 0.77 | — | — | |
| SCHEMBL867198 | 0.76 | CYP1A2 (0.50) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL435073 | 0.76 | CYP1A2 (0.50) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL866722 | 0.76 | CYP1A2 (0.50) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL8398837 | 0.76 | CYP1A2 (0.44) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL867289 | 0.76 | CYP1A2 (0.50) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL867017 | 0.76 | CYP1A2 (0.50) | CYP1A2SIGMAR1CHRM5CHRM2CHRM4 | |
| SCHEMBL23419018 | 0.75 | HRH3 (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113710664-B | JAK1 selective kinase inhibitors | 迪哲(江苏)医药股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-117396203-A | Use of orexin 2 receptor agonists for postoperative recovery | 武田药品工业株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-117015526-A | Aryl sulfonamides as orexin receptor agonists | 研究三角协会 | 2023-11-07 | — | — | CN | disclosed |
| CN-107787322-B | Tricyclic compounds and their use as phosphodiesterase inhibitors | 辉瑞大药厂 | 2023-07-07 | — | — | CN | disclosed |
| CN-116323426-A | Packaging comprising an antimicrobial coating for preventing contamination, e.g. after first use of the product | SIO2医药产品公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-116249697-A | Bicycloheptane pyrrolidine orexin receptor agonists | 默沙东有限责任公司 | 2023-06-09 | — | — | CN | disclosed |