Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL820195 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL28463170 | 0.90 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL28817550 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL4797057 | 0.82 | CYP19A1 (0.43) | ALDH1A1CYP19A1SMN1; SMN2TSHRMAPT | |
| SCHEMBL29809738 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRMAPTFFAR1 | |
| SCHEMBL1945874 | 0.82 | ALDH1A1 (0.56) | ALDH1A1HPGDTSHRMAPTFFAR1 | |
| SCHEMBL2153612 | 0.80 | CYP19A1 (0.48) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL2154210 | 0.80 | SMN1; SMN2 (0.49) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL24108195 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR | |
| SCHEMBL24108467 | 0.79 | ALDH1A1 (0.38) | ALDH1A1HPGDCYP19A1SMN1; SMN2TSHR |
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-111757940-B | Microbiological method for producing amides | 哥伦比亚有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-116199651-A | Preparation method of 2- (1-cyanocyclopropyl) -4, 5-dihydrofuran-3-carbonitrile | 上海毕得医药科技股份有限公司 | 2023-06-02 | — | — | CN | disclosed |