Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL20101138 | 0.82 | CHRNA7 (0.38) | CYP2D6KCNH2 | |
| SCHEMBL16253366 | 0.79 | — | — | |
| SCHEMBL23108395 | 0.77 | MC4R (0.39) | MC4RCHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL12469316 | 0.77 | FDPS (0.31) | — | |
| SCHEMBL19504453 | 0.76 | — | — | |
| SCHEMBL22563140 | 0.75 | MC4R (0.38) | MC4RCHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL18943122 | 0.75 | MC4R (0.34) | MC4RCHRM2CHRM4CHRM5ADRA2A | |
| SCHEMBL15334038 | 0.73 | MEN1 (0.33) | CHRM2CYP2D6CHRM1 | |
| SCHEMBL15334041 | 0.73 | MEN1 (0.33) | CHRM2CYP2D6CHRM1 | |
| SCHEMBL15745619 | 0.73 | KCNA5 (0.36) | KCNH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024054469-A1 | ISOQUINOLONES AS PI3K INHIBITORS | ONKURE, INC. (US) | 2024-03-14 | — | — | WO | disclosed |
| WO-2023066204-A1 | SIK INHIBITOR, COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2018064080-A1 | BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING HIV INFECTION | GILEAD SCIENCES, INC. (US) | 2018-04-05 | — | — | WO | disclosed |