Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | PEPD | P12955 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | MB | P02144 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9745051 | 1.00 | CYP1A1 (0.52) | CYP1A1HIF1AMAOAMAOBCA2 | |
| SCHEMBL22354 | 1.00 | CYP1A1 (0.52) | CYP1A1HIF1AMAOAMAOBCA2 | |
| Hydrochloric Acid SCHEMBL11326485 | 1.00 | CYP1A1 (0.52) | CYP1A1HIF1AMAOAMAOBCA2 | |
| SCHEMBL9745182 | 1.00 | CYP1A1 (0.52) | CYP1A1HIF1AMAOAMAOBCA2 | |
| Hydrochloric Acid SCHEMBL4820901 | 1.00 | CYP1A1 (0.52) | CYP1A1HIF1AMAOAMAOBCA2 | |
| Benzene SCHEMBL11193867 | 0.98 | CYP1A1 (0.50) | CYP1A1HIF1AMAOAMAOBCA2 | |
| Ammonia Solution, Strong SCHEMBL10883600 | 0.98 | CYP1A1 (0.50) | CYP1A1HIF1AMAOAMAOBCA2 | |
| SCHEMBL11973849 | 0.98 | CYP1A1 (0.50) | CYP1A1HIF1AMAOAMAOBCA2 | |
| SCHEMBL1578385 | 0.98 | CYP1A1 (0.50) | CYP1A1HIF1AMAOAMAOBCA2 | |
| Hypochlorous Acid SCHEMBL11320999 | 0.96 | CYP1A1 (0.48) | CYP1A1HIF1AMAOAMAOBCA2 |
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-5120855-A | Formation of hydroxyaromatic ketoacetal from a hydroxyaromatic methylketone and production of 5-(4'-hydroxyphenyl)hydantoin and Dp-hydroxyphenylglycine from 4-hydroxyacetophenone | HOECHST CELANESE CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |