Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19692875 | 1.00 | CA12 (0.44) | CA12ALDH1A1CA2CYP3A4CA9 | |
| Hydrochloric Acid SCHEMBL6882791 | 0.79 | DRD2 (0.40) | CA12ALDH1A1CA2CYP3A4CA9 | |
| SCHEMBL29711729 | 0.75 | DDB1 (0.51) | ALDH1A1MAOAMAOBMGLLGRIK1 | |
| SCHEMBL15271053 | 0.75 | DDB1 (0.51) | ALDH1A1MAOAMAOBACHE | |
| SCHEMBL2416364 | 0.75 | DDB1 (0.51) | ALDH1A1MAOAMAOBMGLLGRIK1 | |
| SCHEMBL15720972 | 0.75 | CYP3A4 (0.44) | CA12ALDH1A1CA2CYP3A4CA9 | |
| SCHEMBL24837521 | 0.75 | MAOA (0.34) | MAOAMAOBGRIK1GRIA2OPRM1 | |
| SCHEMBL30288394 | 0.75 | DDB1 (0.55) | MAOAMAOBTSHRGRIK1GRIA2 | |
| SCHEMBL19277423 | 0.75 | DDB1 (0.55) | MAOAMAOBTSHRGRIK1GRIA2 | |
| SCHEMBL6436876 | 0.75 | TYR (0.45) | ALDH1A1CYP3A4CYP2C9 |
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-109563103-B | Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto | 艾尼纳制药公司 | 2022-05-27 | — | — | CN | disclosed |