Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3166241 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL8079236 | 0.88 | CA2 (0.42) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL10035840 | 0.87 | ALDH1A1 (0.46) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL26192746 | 0.83 | ALDH1A1 (0.44) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL9806922 | 0.83 | KIF11 (0.49) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL20442811 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL3134177 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL26192998 | 0.80 | CYP3A4 (0.50) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL29650290 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CA12CA2CYP3A4LMNA | |
| SCHEMBL6659524 | 0.79 | ALDH1A1 (0.39) | ALDH1A1CA12CA2CYP3A4LMNA |
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 |