Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | GALR2 | O43603 | 1/20 | 0.39 |
| ▸ | GALR1 | P47211 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29078140 | 1.00 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL13945071 | 0.78 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL1241688 | 0.78 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL9823117 | 0.75 | SMN1; SMN2 (0.47) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL9823120 | 0.73 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL28522679 | 0.72 | SMN1; SMN2 (0.64) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL6661157 | 0.71 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL674674 | 0.71 | RAB9A (0.59) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL10771064 | 0.70 | SMN1; SMN2 (0.40) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 | |
| SCHEMBL28419236 | 0.69 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2RAB9AEPHX2NPC1 |
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-116535418-A | Synthesis method and application of chiral N- (1-substituted-allyl) amine | 西安交通大学 | 2023-08-04 | — | — | CN | disclosed |