Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALPG | P10696 | 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 | |
|---|---|---|---|---|
| SCHEMBL1720075 | 0.82 | ALDH1A1 (0.49) | ALDH1A1AKR1C3AKR1C1L3MBTL1SMN1; SMN2 | |
| SCHEMBL8684068 | 0.80 | ALDH1A1 (0.46) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2MEN1 | |
| SCHEMBL27888327 | 0.78 | L3MBTL1 (0.43) | ALDH1A1ESR2HSD17B10L3MBTL1SMN1; SMN2 | |
| SCHEMBL1720514 | 0.78 | LMNA (0.51) | ALDH1A1SMN1; SMN2KMT2ALMNAALPG | |
| SCHEMBL7740756 | 0.78 | BRD4 (0.53) | ALDH1A1L3MBTL1GAALMNA | |
| SCHEMBL4169154 | 0.78 | CYP1A2 (0.48) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2MEN1 | |
| SCHEMBL1095499 | 0.76 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MEN1GAAKMT2A | |
| SCHEMBL14362731 | 0.74 | ALDH1A1 (0.33) | ALDH1A1AKR1C3AKR1C1SMN1; SMN2LMNA | |
| SCHEMBL27300799 | 0.74 | LOXL2 (0.41) | ALDH1A1ESR2SMN1; SMN2MEN1KMT2A | |
| SCHEMBL3583934 | 0.73 | MAPT (0.50) | ALDH1A1HSD17B10L3MBTL1SMN1; SMN2MEN1 |
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-108069876-A | For the 3- aryl propine nitrile compounds of mercaptan mark | 斯特拉斯堡大学 | 2018-05-25 | — | — | CN | disclosed |