Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.74 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | HTR2C | P28335 | 1/20 | 0.54 |
| ▸ | SNCA | P37840 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL715946 | 0.85 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL290189 | 0.85 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL23122299 | 0.84 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL5554168 | 0.84 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PTGS2PTGS1SNCA | |
| SCHEMBL5554175 | 0.84 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PTGS2PTGS1SNCA | |
| SCHEMBL145872 | 0.82 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL13778847 | 0.82 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL145871 | 0.82 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL27851648 | 0.80 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 | |
| SCHEMBL16265418 | 0.79 | ABCG2 (0.69) | ALDH1A1SMN1; SMN2PKMPTGS2PTGS1 |
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-116574054-A | Selective estrogen receptor down regulator compound, preparation method and application | 南京中医药大学 | 2023-08-11 | — | — | CN | disclosed |