Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.52 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.52 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CDK4 | P11802 | 1/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.52 |
| ▸ | CCND1 | P24385 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28601785 | 0.91 | ABCG2 (0.53) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28602254 | 0.88 | ALDH1A1 (0.54) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL30001106 | 0.81 | LMNA (0.56) | ALDH1A1MAPTLMNANPSR1RAB9A | |
| SCHEMBL30001174 | 0.80 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL30000566 | 0.80 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28597096 | 0.80 | KRAS (0.50) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL28919499 | 0.76 | TNFRSF1A (0.53) | ALDH1A1MAPTLMNANPSR1RECQL | |
| SCHEMBL23392544 | 0.76 | CCKAR (0.55) | ALDH1A1MAPTLMNANPSR1RAB9A | |
| SCHEMBL23392543 | 0.76 | CCKAR (0.55) | ALDH1A1MAPTLMNANPSR1RAB9A | |
| SCHEMBL28610978 | 0.74 | TNFRSF1A (0.53) | ALDH1A1MAPTLMNANPSR1RECQL |
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 |