Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5225326 | 0.88 | — | — | |
| SCHEMBL20135772 | 0.80 | TAAR1 (0.73) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL20146704 | 0.80 | TAAR1 (0.73) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL919359 | 0.80 | TAAR1 (0.55) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL7116263 | 0.78 | TAAR1 (0.70) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL6734915 | 0.78 | TAAR1 (0.70) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL8571535 | 0.78 | TAAR1 (0.70) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL7533129 | 0.77 | TAAR1 (0.52) | TAAR1NPC1RAB9ASMN1; SMN2ADRA2A | |
| SCHEMBL79243 | 0.77 | — | — | |
| SCHEMBL2000062 | 0.76 | TAAR1 (0.50) | TAAR1NPC1RAB9ASMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-104829587-B | The preparation of duloxetine hydrochloride | 上海万巷制药有限公司 | 2017-07-21 | — | — | CN | claimed |
| CN-108148039-A | A kind of preparation method of depression bulk pharmaceutical chemicals | 成都汉凰生物技术有限公司 | 2018-06-12 | — | — | CN | disclosed |
| EP-1476439-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | Degussa AG (DE) | 2004-11-17 | — | — | EP | disclosed |
| WO-2003070720-A1 | PREPARATION OF N-METHYL-3-HYDROXY- 3-(2-THIENYL)PROPYLAMINE VIA NOVEL THIOPHENE DERIVATIVES CONTAINING CARBAMATE GROUPS AS INTERMEDIATES | DEGUSSA AG (DE) | 2003-08-28 | — | — | WO | disclosed |