Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LTA4H | P09960 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347287 | 1.00 | ALDH1A1 (0.60) | ALDH1A1LTA4HPOLBMAPK1HTT | |
| SCHEMBL20078546 | 0.86 | ALDH1A1 (0.57) | ALDH1A1LTA4HPOLBMAPK1HTT | |
| SCHEMBL18557398 | 0.85 | HTT (0.56) | ALDH1A1POLBMAPK1HTTSMN1; SMN2 | |
| SCHEMBL2355634 | 0.84 | LTA4H (0.75) | LTA4HHTTSIGMAR1ABCB1L3MBTL1 | |
| SCHEMBL4785593 | 0.84 | TSHR (0.52) | ALDH1A1POLBHTTSMN1; SMN2 | |
| SCHEMBL6993633 | 0.84 | HTT (0.54) | ALDH1A1POLBMAPK1HTTSMN1; SMN2 | |
| SCHEMBL18063436 | 0.84 | ALDH1A1 (0.58) | ALDH1A1LTA4HPOLBMAPK1HTT | |
| SCHEMBL12339254 | 0.83 | HTT (0.57) | ALDH1A1POLBMAPK1HTTSMN1; SMN2 | |
| SCHEMBL24371959 | 0.81 | KMT2A (0.59) | ALDH1A1LTA4HMAPK1HTTSMN1; SMN2 | |
| SCHEMBL11824647 | 0.80 | BCHE (0.74) | ALDH1A1POLBMAPK1HTTSMN1; SMN2 |
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-110655456-B | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-110655456-A | Method for preparing chiral alkyl compound by asymmetric catalytic hydrogenation of E/Z mixed or single-configuration tri-substituted olefin | 浙江大学 | 2020-01-07 | — | — | CN | disclosed |