Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | SMO | Q99835 | 4/20 | 0.59 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.59 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | JAK2 | O60674 | 3/20 | 0.55 |
| ▸ | TYK2 | P29597 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3478178 | 1.00 | ALDH1A1 (0.61) | ALDH1A1SMOKCNK3KCNK9CYP3A4 | |
| SCHEMBL3791414 | 0.92 | SMO (0.61) | ALDH1A1SMOKCNK3KCNK9CYP3A4 | |
| SCHEMBL6841680 | 0.84 | ALDH1A1 (0.72) | ALDH1A1CYP3A4CYP2C9ALOX12MEN1 | |
| SCHEMBL18132540 | 0.84 | TAS1R3 (0.74) | ALDH1A1SMOJAK2MEN1KMT2A | |
| SCHEMBL1203522 | 0.84 | SMO (0.80) | ALDH1A1SMOKCNK3KCNK9JAK2 | |
| SCHEMBL4154853 | 0.84 | TYK2 (0.71) | SMOKCNK3KCNK9CYP3A4JAK2 | |
| SCHEMBL4155586 | 0.83 | JAK2 (0.73) | ALDH1A1SMOKCNK3KCNK9JAK2 | |
| Water SCHEMBL27602058 | 0.82 | SMO (0.77) | ALDH1A1SMOKCNK3KCNK9JAK2 | |
| SCHEMBL7188679 | 0.82 | ALDH1A1 (0.68) | ALDH1A1CYP3A4CYP2C9ALOX12MEN1 | |
| SCHEMBL5852388 | 0.81 | KLKB1 (0.72) | ALDH1A1SMOKCNK3KCNK9JAK2 |
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-114149386-A | Aryl pentadiene amide aldehyde dehydrogenase inhibitor, and synthesis method and application thereof | 中国人民解放军第二军医大学 | 2022-03-08 | — | — | CN | disclosed |
| CN-108864034-A | Amide aldehyde dehydrogenase agonist, and synthesis method and application thereof | 中国人民解放军第二军医大学 | 2018-11-23 | — | — | CN | disclosed |