Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | FABP4 | P15090 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30358562 | 1.00 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31187378 | 0.83 | CA12 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28659989 | 0.82 | PTPN1 (0.56) | GAAALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL2877032 | 0.81 | GBA1 (0.57) | GAAALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL8009873 | 0.80 | KDM4E (0.54) | ALDH1A1HDAC1HDAC8HDAC6MEN1 | |
| SCHEMBL13917941 | 0.80 | GBA1 (0.50) | GAAALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL321836 | 0.78 | CA12 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7993882 | 0.78 | GBA1 (0.52) | GAAALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL12427631 | 0.77 | PLK1 (0.67) | GAAALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL28861327 | 0.77 | HDAC1 (0.50) | GAAALDH1A1HDAC1HDAC8HDAC6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116270576-A | Application of polysubstituted benzene compounds in preparation of medicines for treating cognitive impairment diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-06-23 | — | — | CN | disclosed |
| CN-116270577-A | Application of polysubstituted benzene compounds in preparation of medicines for treating cognitive impairment diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-06-23 | — | — | CN | disclosed |
| CN-113521048-B | Application of polysubstituted benzene compound in preparation of medicine for treating cognitive disorder diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2023-04-14 | — | — | CN | disclosed |
| CN-113521048-A | Application of polysubstituted benzene compound in preparation of medicine for treating cognitive disorder diseases, structure and preparation method | 中国医学科学院医药生物技术研究所 | 2021-10-22 | — | — | CN | disclosed |
| EP-2655312-A1 | 3-ACYL-INGENOLS II | LEO LABORATORIES LIMITED (IE) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012083954-A1 | 3-ACYL-INGENOLS II | LEO PHARMA A/S (DK) | 2012-06-28 | — | — | WO | disclosed |