Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL16906695 | 0.88 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL27313732 | 0.83 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL28902693 | 0.81 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL29197571 | 0.81 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL10994135 | 0.80 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL5590823 | 0.80 | ALDH1A1 (0.78) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL28310468 | 0.80 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.80 | ALDH1A1 (1.00) | ALDH1A1LMNAHSD17B10TSHRALOX15 | |
| Ethyl Acetate SCHEMBL1331901 | 0.80 | — | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112239466-B | Succinate salt of a selective CDK4/6 inhibitor and crystalline forms thereof | 常州千红生化制药股份有限公司 | 2021-06-08 | — | — | CN | disclosed |
| CN-112239466-A | Succinate salt of a selective CDK4/6 inhibitor and crystalline forms thereof | 常州千红生化制药股份有限公司 | 2021-01-19 | — | — | CN | disclosed |