Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 4/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR1B | P28222 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9225959 | 1.00 | PDK1 (0.46) | PDK1HTR2BGRM2ALDH1A1KDM4E | |
| SCHEMBL11068306 | 0.87 | ADRB2 (0.44) | HTR2BGRM2ADRB2ADRB1ADRB3 | |
| SCHEMBL11071694 | 0.85 | PARP1 (0.44) | HTR2BGRM2ALDH1A1KDM4EKMT2A | |
| SCHEMBL11071828 | 0.85 | HTR2B (0.37) | PDK1HTR2BGRM2ALDH1A1KDM4E | |
| SCHEMBL11875374 | 0.84 | HTR2B (0.47) | HTR2BGRM2L3MBTL1ADRA2CMAPK1 | |
| SCHEMBL11067676 | 0.82 | GRM2 (0.39) | HTR2BGRM2L3MBTL1MAPK1 | |
| SCHEMBL11060976 | 0.82 | GRM2 (0.43) | HTR2BGRM2L3MBTL1MAPK1 | |
| SCHEMBL11220571 | 0.82 | HTR1A (0.45) | ALDH1A1KDM4EMEN1KMT2AHTR1B | |
| SCHEMBL11069100 | 0.82 | HTR2B (0.42) | HTR2BGRM2ALDH1A1KDM4ETSHR | |
| SCHEMBL14168333 | 0.81 | HTR2B (0.43) | HTR2BGRM2ALDH1A1OPRM1OPRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0647634-A1 | Method of preparing a heterocyclic intermediate for the production of optically active aryloxy-substituted vicinal aminoalcohols | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1995-04-12 | — | — | EP | disclosed |
| EP-0647633-A1 | Method of preparing a heterocyclic intermediate for the production of optically active aryloxysubstituted vicinal aminoalcohols | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1995-04-12 | — | — | EP | disclosed |
| EP-0008711-B1 | A METHOD OF PREPARING A 2-HYDROXY-3-ISOPROPYL OR A 2-HYDROXY-3-TERT-BUTYLAMINOPROPYL AROMATIC ETHER | SMITHKLINE BECKMAN CORPORATION (US) | 1981-11-04 | — | — | EP | disclosed |
| EP-0008711-A1 | A method of preparing a 2-hydroxy-3-isopropyl or a 2-hydroxy-3-tert-butylaminopropyl aromatic ether | SMITHKLINE BECKMAN CORPORATION (US) | 1980-03-19 | — | — | EP | disclosed |