Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | TNFRSF1A | P19438 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.48 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28919499 | 0.89 | TNFRSF1A (0.53) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28596998 | 0.88 | ALDH1A1 (0.58) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28610978 | 0.87 | TNFRSF1A (0.53) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28601785 | 0.83 | ABCG2 (0.53) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL30001203 | 0.78 | LMNA (0.53) | ALDH1A1MAPTLMNARAB9ATP53 | |
| SCHEMBL30000566 | 0.77 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL30001174 | 0.77 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28597096 | 0.77 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL29236435 | 0.70 | MAOB (0.63) | ALDH1A1MAPTRAB9AMAOBTNFRSF1A | |
| SCHEMBL30001106 | 0.69 | LMNA (0.56) | ALDH1A1MAPTLMNANPSR1RAB9A |
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-113072501-A | 1-phenyl-3- (pyrazol-4-yl) propyl-2-alkene-1-ketone derivative and preparation method and medical application thereof | 武汉科技大学 | 2021-07-06 | — | — | CN | claimed |
| CN-113072501-B | 1-phenyl-3- (pyrazol-4-yl) prop-2-ene-1-one derivative and preparation method and medical application thereof | 武汉科技大学 | 2022-10-14 | — | — | CN | disclosed |