Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723898 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1B1PTGS1PTGS2NQO2 | |
| SCHEMBL30873483 | 0.88 | NQO2 (0.52) | PTGS2NQO2CES2CES1AKR1C3 | |
| SCHEMBL15392604 | 0.86 | PTGS2 (0.45) | CYP1A1CYP1B1PTGS1PTGS2NQO2 | |
| SCHEMBL9507320 | 0.80 | LTA4H (0.50) | PTGS2NQO2LMNA | |
| SCHEMBL27832850 | 0.80 | ALDH1A1 (0.59) | PTGS2NQO2MAOB | |
| SCHEMBL9507327 | 0.80 | LTA4H (0.50) | PTGS2NQO2LMNA | |
| SCHEMBL5725732 | 0.80 | MEN1 (0.49) | PTGS2NQO2 | |
| SCHEMBL3662962 | 0.79 | CYP1A1 (0.43) | CYP1A1CYP1B1PTGS1PTGS2NQO2 | |
| SCHEMBL3662961 | 0.79 | CYP1A1 (0.43) | CYP1A1CYP1B1PTGS1PTGS2NQO2 | |
| SCHEMBL2855696 | 0.75 | ALDH1A1 (0.56) | PTGS1NQO2LMNA |
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 1 patent. 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 |