Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20629323 | 0.92 | HTR2A (0.62) | CA2HTR2AALDH1A1HSD17B10ESR1 | |
| SCHEMBL19399085 | 0.86 | CA2 (0.47) | CA2SMN1; SMN2HTR2AALDH1A1PLK1 | |
| SCHEMBL942955 | 0.82 | CA2 (0.52) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL1782925 | 0.82 | CA2 (0.52) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL83869 | 0.81 | CA2 (0.65) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL10012693 | 0.80 | CA2 (0.50) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL8641530 | 0.80 | CA2 (0.50) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL2022281 | 0.78 | CA2 (0.48) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| SCHEMBL11561616 | 0.78 | CA2 (0.48) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28990998 | 0.78 | CA2 (0.62) | CA2SMN1; SMN2HTR2ACA1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112479950-B | Preparation process of PIN1 inhibitor | 烟台共进医药科技有限公司 | 2023-03-10 | — | — | CN | claimed |
| CN-112479950-B | Preparation process of PIN1 inhibitor | 烟台共进医药科技有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-112479950-B | Preparation process of PIN1 inhibitor | 烟台共进医药科技有限公司 | 2023-03-10 | — | — | CN | disclosed |
| CN-112479950-A | Preparation process of novel PIN1 inhibitor | 烟台共进医药科技有限公司 | 2021-03-12 | — | — | CN | disclosed |