Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561407 | 0.85 | CA2 (0.49) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL15903703 | 0.85 | GAA (0.49) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL28069382 | 0.85 | CA2 (0.73) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL30998117 | 0.85 | CA1 (0.49) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL30901136 | 0.85 | CA1 (0.49) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL8320952 | 0.84 | CA1 (0.70) | CA1CA9CA2TDP1CYP2A6 | |
| SCHEMBL29930110 | 0.82 | TDP1 (0.58) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL30290794 | 0.82 | CA1 (0.46) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL29930606 | 0.82 | TDP1 (0.58) | CA1CA9CA2ALDH1A1HSD17B10 | |
| SCHEMBL31501223 | 0.81 | CA2 (0.45) | CA1CA9CA2ALDH1A1HSD17B10 |
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-3186267-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016029888-A1 | AMPHIPHILIC COMPOUNDS WITH NEUROPROTECTIVE PROPERTIES | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) | 2016-03-03 | — | — | WO | disclosed |
| EP-2948152-A2 | NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION | Sphaera Pharma Pvt. Ltd. (IN) | 2015-12-02 | — | — | EP | disclosed |
| WO-2014115167-A2 | NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION | SPHAERA PHARMA PVT. LTD. (IN) | 2014-07-31 | — | — | WO | disclosed |