Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| Phenylglyoxal SCHEMBL8918694 | 0.85 | MAPK1 (0.60) | MAOBALDH1A1TDP1MAPK1MAPT | |
| Phenylglyoxal SCHEMBL9065567 | 0.83 | MAPK1 (0.56) | MAOBALDH1A1TDP1MAPK1MAPT | |
| SCHEMBL361345 | 0.78 | ALDH5A1 (0.62) | CA12CA1CA2CA7CA9 | |
| 4-Hydroxybenzaldehyde SCHEMBL17941268 | 0.78 | ALDH5A1 (0.57) | CA12CA1CA2CA7CA9 | |
| Water SCHEMBL9413887 | 0.76 | ALDH5A1 (0.60) | CA12CA1CA2CA7CA9 | |
| Terephthalic Acid SCHEMBL11348710 | 0.73 | ALDH1A1 (0.52) | CA1CA2ALDH1A1MAPK1TSHR | |
| SCHEMBL6426469 | 0.72 | ESR1 (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27989250 | 0.72 | LMNA (0.48) | CA12CA1CA2CA7CA9 | |
| Phenol SCHEMBL3315051 | 0.71 | LMNA (0.52) | CA12CA1CA2CA7CA9 | |
| Glyoxylate SCHEMBL5793604 | 0.70 | LMNA (0.57) | ALDH1A1LMNA |
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-5292945-A | Process for preparing α-chloro-α-oximino-4-hydroxyacetophenone | HOECHST CELANESE CORPORATION (US) | 1994-03-08 | — | — | US | disclosed |
| EP-0545682-A2 | Process for preparing alpha-chloro-alpha-oximino-4-hydroxyacetophenone | HOECHST CELANESE CORPORATION (US) | 1993-06-09 | — | — | EP | disclosed |