Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637420 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035327 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7964713 | 1.00 | TACR1 (0.64) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL28339135 | 0.99 | TACR1 (0.63) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052518 | 0.96 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9052513 | 0.96 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9037266 | 0.95 | TACR1 (0.59) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9053585 | 0.93 | TACR1 (0.56) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9035174 | 0.91 | TACR1 (0.54) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9034870 | 0.90 | TACR1 (0.58) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4647783-B2 | — | — | 2011-03-09 | — | — | JP | claimed |
| JP-2002518388-A | — | — | 2002-06-25 | — | — | JP | claimed |
| EP-1087966-A1 | CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 2001-04-04 | — | — | EP | claimed |
| WO-1999065900-A1 | CHEMICAL SYNTHESIS OF MORPHOLINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-23 | — | — | WO | claimed |
| CN-114478631-A | Preparation of fosaprepitant dimeglumine | 江苏慧聚药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-114478631-A | Preparation of fosaprepitant dimeglumine | 江苏慧聚药业股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-110655515-A | Preparation method of high-purity aprepitant | 江苏海悦康医药科技有限公司 | 2020-01-07 | — | — | CN | disclosed |
| WO-2009116081-A2 | AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT | MSN LABORATORIES LIMITED (IN) | 2009-09-24 | — | — | WO | disclosed |
| EP-1124826-A1 | PROCESS FOR THE PREPARATION OF 2-(R)-(1- (R)-(3,5-BIS (TRIFLUOROMETHYL) PHENYL)ETHOXY) -4-((5-DIMETHYLAMINOMETHYL) -1,2,3-TRIAZOL -4-YL)METHYL) -3-(S)-(4- FLUOROPHENYL) MORPHOLINE | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026215-A1 | PROCESS FOR THE PREPARATION OF 2-(R)-(1- (R)-(3,5-BIS (TRIFLUOROMETHYL) PHENYL)ETHOXY) -4-((5-DIMETHYLAMINOMETHYL) -1,2,3-TRIAZOL -4-YL)METHYL) -3-(S)-(4- FLUOROPHENYL) MORPHOLINE | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| WO-2000026214-A1 | LINEAR PROCESS FOR THE PREPARATION OF A MORPHOLINE COMPOUND | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| EP-0994867-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | Merck & Co., Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001444-A1 | POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 2-(R)-(1-(R) -(3,5-BIS(TRIFLUOROMETHYL) PHENYL)ETHOXY)-3-(S)-(4-FLUORO) PHENYL-4-(3-5 (-OXO-1H,4H-1,2,4,-TRIAZOLO) METHYLMORPHOLINE | MERCK & CO., INC. (US) | 1999-01-14 | — | — | WO | disclosed |
| EP-0861251-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018206-A1 | MORPHOLINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |