Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | GLA | P06280 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10754154 | 0.81 | MAPT (0.39) | CYP3A4CHRNA7HTR1AALDH1A1KDM4E | |
| SCHEMBL22265286 | 0.75 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTTSHRGAA | |
| SCHEMBL10402359 | 0.74 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDGLACASP1 | |
| SCHEMBL13799467 | 0.74 | ALDH1A1 (0.44) | CYP3A4CHRNA7HTR1AALDH1A1KDM4E | |
| SCHEMBL19030775 | 0.73 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTTSHR | |
| SCHEMBL8809053 | 0.69 | DRD2 (0.36) | ALDH1A1KDM4EMAPT | |
| SCHEMBL19046335 | 0.69 | ALDH1A1 (0.42) | CYP3A4ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL19046371 | 0.69 | CYP3A4 (0.37) | CYP3A4ALDH1A1KDM4ECASP7HSD17B10 | |
| SCHEMBL8930679 | 0.69 | ABCG2 (0.53) | CYP3A4ALDH1A1HSD17B10MAPTMEN1 | |
| SCHEMBL30714925 | 0.68 | SLC5A1 (0.40) | CYP3A4ALDH1A1KDM4EMAPTCYP2D6 |
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-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |