Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | ACP3 | P15309 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28293441 | 0.85 | CYP1A2 (0.42) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL11786019 | 0.79 | CYP1A2 (0.48) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL29167170 | 0.79 | CYP1A2 (0.48) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL29503952 | 0.79 | CYP1A2 (0.48) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL1561798 | 0.79 | CYP1A2 (0.48) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL7207703 | 0.78 | TRPM4 (0.45) | CYP1A2ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL547819 | 0.76 | ALDH1A1 (0.44) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL17435207 | 0.76 | CYP1A2 (0.44) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL8376253 | 0.76 | HSD17B10 (0.47) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL29380144 | 0.76 | ALDH1A1 (0.44) | CYP1A2ACP3ALDH1A1HSD17B10CYP2A6 |
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 |