Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4619913 | 1.00 | NPC1 (0.47) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| SCHEMBL4621336 | 1.00 | NPC1 (0.47) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| SCHEMBL522925 | 0.98 | NPC1 (0.48) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| SCHEMBL4156 | 0.98 | NPC1 (0.48) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| SCHEMBL1200623 | 0.98 | NPC1 (0.48) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27710967 | 0.97 | NPC1 (0.47) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| Hydrochloric Acid SCHEMBL27899374 | 0.97 | NPC1 (0.47) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| Alcohol SCHEMBL6236373 | 0.93 | CACNA2D1 (0.48) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| Tetrahydrothiophene SCHEMBL12971275 | 0.88 | NPC1 (0.41) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 | |
| SCHEMBL28016938 | 0.88 | CACNA2D1 (0.42) | NPC1RAB9AKMT2ACACNA2D1CYP3A4 |
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 |
| US-20080015362-A1 | Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine | TEVA PHARMACEUTICALS USA, INC. | 2008-01-17 | — | — | US | 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-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 |
| US-20080015362-A1 | Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine | TEVA PHARMACEUTICALS USA, INC. | 2008-01-17 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080015362-A1 | Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine | HTR3A, PNMT, TPH1 | NPC1 1949/4885RAB9A 1251/4885KMT2A 2173/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.