Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8579927 | 0.90 | ALDH1A1 (0.44) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL7763320 | 0.85 | CYP2D6 (0.50) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL28014598 | 0.85 | KDM4E (0.50) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL7206168 | 0.85 | CYP2C9 (0.52) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| Methane SCHEMBL28100002 | 0.84 | KDM4E (0.48) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL301345 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL6021075 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL8579679 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL1868206 | 0.77 | KCNA5 (0.46) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 | |
| SCHEMBL2172547 | 0.77 | KCNA5 (0.46) | ALDH1A1CYP2C19CYP2D6MAPK1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6607677-B1 | Optically active butane-1,2,3,4-tetraol derivatives of formula (I). The compounds may be used as doping agents for liquid crystals for a wide range of applications, such as solid state cholesteric filters for projection displays, | ROLIC AG (CH) | 2003-08-19 | — | — | US | disclosed |