Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL7538137 | 1.00 | ALDH1A1 (0.47) | ALDH1A1ADRB2ADRB1CYP4F2CYP4A11 | |
| SCHEMBL15080945 | 0.89 | ALDH1A1 (0.49) | ALDH1A1SLC7A5ESR1ESR2F2RL1 | |
| SCHEMBL7542381 | 0.88 | SLC7A5 (0.57) | ALDH1A1ADRB2ADRB1SLC7A5TDP1 | |
| Phenylalanine Methyl Ester SCHEMBL20448566 | 0.83 | SLC15A1 (0.58) | ALDH1A1SLC7A5TDP1 | |
| Hydrochloric Acid SCHEMBL9636473 | 0.83 | ADRB2 (0.49) | ALDH1A1ADRB2ADRB1CYP4F2CYP4A11 | |
| SCHEMBL9008882 | 0.81 | SPHK1 (0.48) | ALDH1A1 | |
| SCHEMBL22922181 | 0.81 | CYP4F2 (0.59) | ALDH1A1ADRB2ADRB1CYP4F2CYP4A11 | |
| SCHEMBL14021768 | 0.80 | HRH3 (0.44) | ADRB2ADRB1CYP4F2CYP4A11SLC7A5 | |
| SCHEMBL24648908 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SLC7A5ESR1ESR2TDP1 | |
| SCHEMBL16060244 | 0.80 | ALDH1A1 (0.51) | ALDH1A1SLC7A5ESR1ESR2PTGS2 |
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-1209147-A1 | CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 2002-05-29 | — | — | EP | disclosed |