Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.41 |
| ▸ | GLRB | P48167 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GGT1 | P19440 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9847763 | 0.86 | HTT (0.60) | HTTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL29962758 | 0.85 | HTT (0.41) | HTTCA12CA1CA2CA7 | |
| SCHEMBL143861 | 0.83 | HTT (0.53) | HTTCA12CA1CA2CA7 | |
| SCHEMBL29395127 | 0.83 | HTT (0.53) | HTTCA12CA1CA2CA7 | |
| SCHEMBL29640973 | 0.82 | HTT (0.47) | HTTCA12CA1CA2CA7 | |
| SCHEMBL1079649 | 0.82 | HTT (0.47) | HTTCA12CA1CA2CA7 | |
| Water SCHEMBL7618236 | 0.82 | HTT (0.52) | HTTCA12CA1CA2CA7 | |
| SCHEMBL6003587 | 0.80 | HTT (0.59) | HTTCA12CA1CA2CA7 | |
| Butane SCHEMBL15005123 | 0.79 | HTT (0.54) | HTTCA12CA1CA2CA7 | |
| SCHEMBL16211132 | 0.79 | IDO1 (0.41) | HTTESR1PTGS1PTGS2IDO1 |
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-0413415-A1 | Carboxylic acids and derivates thereof | The British Petroleum Company p.l.c. (GB) | 1991-02-20 | — | — | EP | disclosed |