Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CPA3 | P15088 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.39 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22831448 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL2778473 | 0.98 | CYP2D6 (0.41) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL29478365 | 0.82 | CTSA (0.47) | ACP3 | |
| SCHEMBL1309481 | 0.82 | CTSA (0.47) | ACP3 | |
| SCHEMBL5720969 | 0.82 | CTSA (0.47) | ACP3 | |
| SCHEMBL25253132 | 0.82 | CTSA (0.47) | ACP3 | |
| SCHEMBL31444451 | 0.81 | LMNA (0.40) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL21632340 | 0.80 | GABBR2 (0.45) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL8116798 | 0.79 | ACP3 (0.47) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 | |
| SCHEMBL23217529 | 0.79 | GAA (0.44) | CYP2D6CYP1A2ALDH1A1TSHRCYP2C19 |
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-2345634-A1 | Optically active 4-amino-3-(4-chlorophenyl) butanoic acid | Sumitomo Chemical Company, Limited (JP) | 2011-07-20 | — | — | EP | disclosed |