Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6891007 | 0.81 | SMPD2 (0.43) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14380842 | 0.81 | ALOX5 (0.42) | ALDH1A1 | |
| SCHEMBL6469999 | 0.77 | ALDH1A1 (0.34) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11304684 | 0.77 | TSHR (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL18929758 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28655242 | 0.75 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL28660212 | 0.75 | KDM4E (0.40) | ALDH1A1 | |
| SCHEMBL7192197 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19AOC3 | |
| SCHEMBL3804071 | 0.74 | CASR (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3804072 | 0.74 | CASR (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016202894-A1 | METHOD OF CONVERTING ALCOHOL TO HALIDE | UNIVERSITAET DES SAARLANDES (DE) | 2016-12-22 | — | — | WO | disclosed |