Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CTSC | P53634 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1535336 | 0.98 | NPC1 (0.42) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL17829522 | 0.85 | NPC1 (0.43) | NPC1RAB9AKMT2AALOX5CES2 | |
| Mandelic Acid SCHEMBL1535380 | 0.83 | LMNA (0.47) | NPC1RAB9AALOX5CES2CES1 | |
| SCHEMBL11388750 | 0.78 | ALOX5 (0.36) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL1958619 | 0.78 | ALOX5 (0.38) | ALOX5CES2CES1KEAP1TSHR | |
| Methylamine SCHEMBL28554106 | 0.76 | NPC1 (0.44) | NPC1RAB9AKMT2AALOX5CES2 | |
| SCHEMBL2849489 | 0.75 | — | — | |
| SCHEMBL7296321 | 0.75 | — | — | |
| SCHEMBL1232757 | 0.75 | — | — | |
| SCHEMBL4131049 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899317-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | Teva Pharmaceutical Industries Ltd (IL) | 2008-03-19 | — | — | EP | claimed |
| WO-2007123900-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-11-01 | — | — | WO | claimed |
| EP-1943213-A2 | PPAR MODULATING BIAROMATIC COMPOUNDS | Galderma Research & Development (FR) | 2008-07-16 | — | — | EP | disclosed |
| EP-1899317-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | Teva Pharmaceutical Industries Ltd (IL) | 2008-03-19 | — | — | EP | disclosed |
| WO-2007123900-A2 | ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007049158-A2 | PPAR MODULATING BIAROMATIC COMPOUNDS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2007-05-03 | — | — | WO | disclosed |