Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MMP12 | P39900 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL712597 | 0.89 | KEAP1 (0.70) | ALDH1A1KEAP1TDP1L3MBTL1ALOX5 | |
| SCHEMBL9765869 | 0.88 | ALDH1A1 (0.64) | ALDH1A1KEAP1TDP1L3MBTL1ALOX5 | |
| Benzylacetone SCHEMBL1346 | 0.87 | ALDH1A1 (1.00) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| SCHEMBL497371 | 0.87 | KEAP1 (0.73) | ALDH1A1KEAP1TDP1L3MBTL1ALOX5 | |
| Benzylacetone SCHEMBL23581088 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| Benzylacetone SCHEMBL10786223 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| Benzylacetone SCHEMBL29892054 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| Benzylacetone SCHEMBL29808345 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| Benzylacetone SCHEMBL21048732 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 | |
| Benzylacetone SCHEMBL11768872 | 0.85 | ALDH1A1 (0.95) | ALDH1A1KEAP1TDP1L3MBTL1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0500005-B1 | Process for the preparation of substituted indenes | HOECHST AG (DE) | 1996-02-07 | — | — | EP | disclosed |
| US-5194619-A | PROCESS FOR THE PREPARATION OF SUBSTITUTED INDENES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | disclosed |
| EP-0500005-A1 | Process for the preparation of substituted indenes | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-08-26 | — | — | EP | disclosed |
| US-4035395-A | Process for the preparation of ketones | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-12 | — | — | US | disclosed |