Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL11089898 | 0.88 | CA2 (0.52) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| SCHEMBL6100 | 0.87 | HDAC8 (0.62) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| SCHEMBL26124213 | 0.86 | CA2 (0.53) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5866386 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| SCHEMBL7796539 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2915137 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| Dimethylamine SCHEMBL10918737 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| Methane SCHEMBL15893673 | 0.85 | HDAC8 (0.67) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| SCHEMBL11130438 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5075431 | 0.85 | HDAC8 (0.60) | CA2HDAC8HDAC6HDAC2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0018100-B1 | SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-01-18 | — | — | EP | disclosed |