Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | ACACB | O00763 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16710518 | 1.00 | LDHA (0.64) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL962571 | 0.89 | TSHR (0.47) | LDHAALDH1A1SMN1; SMN2 | |
| SCHEMBL31644253 | 0.83 | LDHA (0.42) | LDHAMTNR1AMTNR1B | |
| SCHEMBL47915 | 0.83 | LDHA (0.59) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL25021506 | 0.82 | LDHA (0.58) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL27426193 | 0.82 | LDHA (0.58) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL8149286 | 0.82 | HSD17B10 (0.54) | LDHAPPARGPPARAALDH1A1 | |
| SCHEMBL5617244 | 0.82 | ALDH1A1 (0.52) | SLC6A4ALDH1A1CYP1A2 | |
| SCHEMBL9028692 | 0.82 | ALDH1A1 (0.52) | SLC6A4ALDH1A1CYP1A2 | |
| SCHEMBL3505882 | 0.82 | ALDH1A1 (0.52) | SLC6A4ALDH1A1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112004817-A | Macrocyclic compounds as modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions thereof, their use in the treatment of cystic fibrosis, and processes for their preparation | 弗特克斯药品有限公司 | 2020-11-27 | — | — | CN | disclosed |
| EP-1140756-A2 | SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000040532-A2 | SYNTHESIS OF DIHYDROHONOKIOL COMPOSITIONS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2000-07-13 | — | — | WO | disclosed |