Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28701232 | 0.83 | ACP3 (0.43) | SMN1; SMN2 | |
| SCHEMBL28701229 | 0.82 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CNR2 | |
| SCHEMBL2886387 | 0.76 | CYP2C19 (0.43) | ALDH1A1 | |
| SCHEMBL28450136 | 0.71 | CYP2C19 (0.45) | SMN1; SMN2CNR2 | |
| SCHEMBL6752515 | 0.70 | LMNA (0.44) | ALDH1A1 | |
| SCHEMBL27961280 | 0.69 | ESR1 (0.40) | ALDH1A1SMN1; SMN2RXRARXRB | |
| SCHEMBL4660421 | 0.68 | TDP1 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5495389 | 0.67 | TDP1 (0.47) | ALDH1A1 | |
| SCHEMBL28522739 | 0.67 | SMN1; SMN2 (0.45) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL10999490 | 0.67 | HSD17B10 (0.38) | ERN1 |
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-110294702-B | Chiral alpha-fluorine-containing homoallylamine derivative and preparation method and application thereof | 武汉大学 | 2021-05-04 | — | — | CN | disclosed |