Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.68 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.68 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.68 |
| ▸ | TSHR | P16473 | 3/20 | 0.68 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.68 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.68 |
| ▸ | HTR2A | P28223 | 2/20 | 0.68 |
| ▸ | HTR2C | P28335 | 2/20 | 0.68 |
| ▸ | HRH1 | P35367 | 2/20 | 0.68 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.68 |
| ▸ | DRD3 | P35462 | 2/20 | 0.68 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.68 |
| ▸ | HTR2B | P41595 | 2/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.68 |
| ▸ | KLF10 | Q13118 | 2/20 | 0.68 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL7996118 | 1.00 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL2208714 | 1.00 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL8079421 | 0.85 | SLC6A2 (0.69) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL14188841 | 0.85 | SLC6A2 (0.69) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL7584672 | 0.84 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL5161697 | 0.84 | SLC6A4 (0.50) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL5161685 | 0.84 | SLC6A4 (0.50) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL10031213 | 0.83 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL9772801 | 0.83 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 | |
| SCHEMBL2212613 | 0.83 | SLC6A2 (0.68) | SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2348120-B1 | Enzymatic reduction of 1-phenylpropanone and derivatives thereof | Universität Wien (AT) | 2014-06-11 | — | — | EP | disclosed |
| EP-2348120-A1 | Enzymatic reduction of 1-phenylpropanone and derivatives thereof | Universität Wien (AT) | 2011-07-27 | — | — | EP | disclosed |
| US-5068432-A | Amination and etherification of a halo alcohol and resolution of a racemic mixture | ALDRICH CHEMICAL COMPANY, INC. (US) | 1991-11-26 | — | — | US | disclosed |
| US-4950791-A | REDUCING HALO-SUBSTITUTED PHENYLALKYLKETONE TO FORM ALCOHOL, REACTING ALCOHOL WITH AMINE | SIGMA ALDRICH CO. | 1990-08-21 | — | — | US | disclosed |
| US-4918246-A | REDUCING HALOKETONE WITH DIISOPINOCAMPHEYLBORANE | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4918207-A | PURITY; ENANTIOMORPHS | ALDRICH CHEMICAL CO., INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4918242-A | Novel optically 1,3-phenoxypropylhalides | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4868344-A | OPTICALLY PURE HALOALCOHOLS | ALDRICH-BORANES, INC. (US) | 1989-09-19 | — | — | US | disclosed |