Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.67 |
| ▸ | CA2 | P00918 | 3/20 | 0.67 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.55 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13204802 | 0.83 | CA1 (0.62) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL5604560 | 0.83 | CA1 (0.71) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL27845742 | 0.83 | HDAC8 (0.58) | CA1CA2MEN1KMT2AL3MBTL1 | |
| SCHEMBL1446643 | 0.82 | CA1 (0.70) | CA1CA2HDAC3HDAC1HDAC2 | |
| N-Benzylaniline SCHEMBL11480512 | 0.82 | FFAR1 (0.64) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL2742815 | 0.82 | CA1 (0.70) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL11881329 | 0.81 | CA1 (0.68) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL18415526 | 0.80 | CA1 (1.00) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL5068509 | 0.80 | CA1 (0.75) | CA1CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL27540427 | 0.79 | MAPT (0.68) | HDAC3HDAC1HDAC2MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175368-A | Hydrogenating aryl alpha-oximinoalkyl ketones in aqueous medium containing hydrochlroic acid, recovering salt | HOECHST CELANESE CORPORATION (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0491557-A1 | Process for the preparation of arylalkylamines and substituted arylalkylamines | HOECHST CELANESE CORPORATION (US) | 1992-06-24 | — | — | EP | disclosed |
| EP-0481705-A1 | Process for the preparation of arylalkylamines and substituted arylalkylamines | HOECHST CELANESE CORPORATION (US) | 1992-04-22 | — | — | EP | disclosed |
| US-5041669-A | Reacting alkyl aryl ketones with alkyl nitrites, extracting product, catalytically hydrogenating/reducing in nonaqueous acid mixture | HOECHST CELANESE CORPORATION (US) | 1991-08-20 | — | — | US | disclosed |