Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682565 | 1.00 | CYP1A1 (0.41) | CYP1A1CYP1B1KCNMA1ALOX5PTGS1 | |
| SCHEMBL9682661 | 0.81 | ALDH1A1 (0.44) | ALOX5PTGS1PTGS2MEN1KMT2A | |
| SCHEMBL9682656 | 0.81 | ALDH1A1 (0.44) | ALOX5PTGS1PTGS2MEN1KMT2A | |
| SCHEMBL9724966 | 0.81 | ALDH1A1 (0.44) | ALOX5PTGS1PTGS2MEN1KMT2A | |
| SCHEMBL11283615 | 0.78 | NQO2 (0.43) | GAAMEN1KMT2ANQO2SMN1; SMN2 | |
| SCHEMBL9681508 | 0.73 | NQO2 (0.37) | NQO2CYP1A2 | |
| SCHEMBL30873483 | 0.71 | NQO2 (0.52) | PTGS2MEN1KMT2ANQO2SMN1; SMN2 | |
| SCHEMBL4151009 | 0.70 | HTT (0.42) | KCNMA1ALOX5MEN1KMT2ANQO2 | |
| SCHEMBL1039562 | 0.70 | HTT (0.42) | KCNMA1ALOX5MEN1KMT2ANQO2 | |
| SCHEMBL30873529 | 0.69 | NQO2 (0.53) | PTGS2MEN1KMT2ANQO2SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |