Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 4/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 4/20 | 0.49 |
| ▸ | MMP1 | P03956 | 3/20 | 0.49 |
| ▸ | MMP13 | P45452 | 3/20 | 0.49 |
| ▸ | MMP3 | P08254 | 2/20 | 0.49 |
| ▸ | MMP7 | P09237 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 2/20 | 0.48 |
| ▸ | MMP14 | P50281 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7370961 | 0.84 | CA2 (0.56) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL10404336 | 0.84 | CA2 (0.56) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL10403893 | 0.82 | CA2 (0.54) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL29011655 | 0.79 | CA9 (0.49) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL25650178 | 0.79 | GAA (0.65) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL6500063 | 0.79 | CA2 (0.62) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL5001779 | 0.78 | CA2 (0.62) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL5001781 | 0.78 | CA2 (0.62) | CA2ALDH1A1CA9CA12TSHR | |
| SCHEMBL3090529 | 0.78 | MMP2 (0.59) | CA2ALDH1A1CA9CA12CA1 | |
| SCHEMBL10289397 | 0.76 | CA2 (0.62) | CA2ALDH1A1CA9CA12TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111315744-B | Heteroaryl tetrahydropyridine compound, preparation method, pharmaceutical composition and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-112142730-A | Solid forms of heteroaryltetrahydropyridines and process for their preparation | 四川科伦博泰生物医药股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-111315744-A | Heteroaryl tetrahydropyridine compound, preparation method thereof, pharmaceutical composition and application thereof | 四川科伦博泰生物医药股份有限公司 | 2020-06-19 | — | — | CN | disclosed |