Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20604377 | 0.79 | ALOX5 (0.46) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL2608973 | 0.79 | ALOX5 (0.46) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL19757663 | 0.79 | ALOX5 (0.46) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL19757658 | 0.79 | ALOX5 (0.46) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL20604375 | 0.79 | ALOX5 (0.46) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL31556325 | 0.79 | CES2 (0.52) | ALDH1A1KDM4EALOX5CYP3A4CYP2D6 | |
| SCHEMBL1535361 | 0.77 | ALOX5 (0.45) | ALDH1A1KDM4EALOX5CYP3A4CYP2D6 | |
| SCHEMBL28472127 | 0.77 | SLC6A2 (0.55) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL21031031 | 0.76 | CYP3A4 (0.43) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL21030387 | 0.76 | CYP3A4 (0.43) | ALDH1A1ALOX5CYP3A4CYP2D6SLC6A2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101407510-A | Preparation of duloxetine hydrochloride intermediate | ZHEJIANG HUAHAI PHARM CO LTD (CN) | 2009-04-15 | — | — | CN | claimed |
| CN-1300137-C | Method for preparing (S)-(+)-N,N-dimethyl-3-(1-naphthoxy)-3-(2-thienyl) propylamine | SHANGHAI PHARMACEUTICAL INDUST (CN) | 2007-02-14 | — | — | CN | claimed |
| CN-1676522-A | Method for preparing (S)-(+)-N,N-dimethyl-3-(1-naphthoxy)-3-(2-thienyl) propylamine | SHANGHAI PHARMACEUTICAL INDUST (CN) | 2005-10-05 | — | — | CN | claimed |
| CN-1067681-C | Asymmetric synthesis | LILLY CO ELI (US) | 2001-06-27 | — | — | CN | claimed |
| CN-1109470-A | Asymmetric synthesis | LILLY CO ELI (US) | 1995-10-04 | — | — | CN | claimed |
| JP-57095961-A | — | — | None | — | — | JP | disclosed |
| CN-101407510-A | Preparation of duloxetine hydrochloride intermediate | ZHEJIANG HUAHAI PHARM CO LTD (CN) | 2009-04-15 | — | — | CN | disclosed |
| CN-101389621-A | Method for preparing (S) - (-) -N, N-dimethyl-3- (2-thienyl) -3-hydroxypropyl amine serving as intermediate of duloxetine | TEVA PHARMA (IL) | 2009-03-18 | — | — | CN | disclosed |
| CN-1300137-C | Method for preparing (S)-(+)-N,N-dimethyl-3-(1-naphthoxy)-3-(2-thienyl) propylamine | SHANGHAI PHARMACEUTICAL INDUST (CN) | 2007-02-14 | — | — | CN | disclosed |
| CN-1676522-A | Method for preparing (S)-(+)-N,N-dimethyl-3-(1-naphthoxy)-3-(2-thienyl) propylamine | SHANGHAI PHARMACEUTICAL INDUST (CN) | 2005-10-05 | — | — | CN | disclosed |
| JP-S5795961-A | ERYTHRO-2-AMINO-1-HETEROCYCLIC PROPANOL DERIVATIVE AND ITS PREPARATION | GRELAN PHARMACEUT CO LTD | 1982-06-15 | — | — | JP | disclosed |