Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL5581682 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL1711365 | 1.00 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| Water SCHEMBL11017550 | 0.98 | CYP2D6 (0.43) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL10886657 | 0.93 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL7198639 | 0.82 | KDM4E (0.52) | CYP2D6CYP3A4NFKB1LMNAALDH1A1 | |
| SCHEMBL27218519 | 0.81 | DPP4 (0.33) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL11295470 | 0.81 | DPP4 (0.33) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL30678523 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL14395925 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4NFKB1PNMT | |
| SCHEMBL30678522 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4NFKB1PNMT |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220093-A2 | PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | Dr. Reddy's Laboratories Ltd. (IN) | 2010-08-25 | — | — | EP | claimed |
| WO-2009085990-A2 | PROCESSES FOR THE PREPARATION OF SITAGLIPTIN AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | DR. REDDY'S LABORATORIES LIMITED (IN) | 2009-07-09 | — | — | WO | claimed |
| EP-2069320-A2 | PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES | Teva Pharmaceutical Industries Ltd. (IL) | 2009-06-17 | — | — | EP | claimed |
| WO-2008151170-A2 | PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2008-12-11 | — | — | WO | claimed |
| WO-2015049629-A1 | IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS | Piramal Enterprises Limited (IN) | 2015-04-09 | — | — | WO | disclosed |
| EP-2751081-A1 | POLYMORPHIC FORM OF PITAVASTATIN CALCIUM | Farma GRS, d.o.o. (SI) | 2014-07-09 | — | — | EP | disclosed |
| WO-2013037838-A1 | POLYMORPHIC FORM OF PITAVASTATIN CALCIUM | FARMA GRS, D.O.O. (SI) | 2013-03-21 | — | — | WO | disclosed |
| EP-2516437-A1 | DISUBSTITUTED HETEROARYL-FUSED PYRIDINES | Novartis AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| EP-2477966-A1 | PROCESSES AND INTERMEDIATES | Vertex Pharmaceuticals Incorporated (US) | 2012-07-25 | — | — | EP | disclosed |
| EP-2437600-A1 | BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS | GlaxoSmithKline LLC (US) | 2012-04-11 | — | — | EP | disclosed |
| EP-2427430-A1 | 5-OXO-ETE RECEPTOR ANTAGONIST COMPOUNDS | The Royal Institution for the Advancement of Learning / McGill University (CA) | 2012-03-14 | — | — | EP | disclosed |
| EP-2406254-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | SANOFI (FR) | 2012-01-18 | — | — | EP | disclosed |
| WO-2007015824-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2007-02-08 | — | — | WO | disclosed |
| WO-2006122259-A1 | OPTICAL RESOLUTION OF 3-CARBAMOYLMETHYL-5-METHYL HEXANOIC ACID | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-11-16 | — | — | WO | disclosed |
| WO-2006122255-A1 | PREGABALIN FREE OF ISOBUTYLGLUTARIC ACID AND A PROCESS FOR PREPARATION THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2006-11-16 | — | — | WO | disclosed |
| EP-1641752-A1 | 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA | GLAXO GROUP LIMITED (GB) | 2006-04-05 | — | — | EP | disclosed |
| WO-2006026489-A1 | NOVEL DIAZAPHOSPHOLANE LIGANDS FOR ASYMMETRIC CATALYSIS | THE DOW CHEMICAL COMPANY (US) | 2006-03-09 | — | — | WO | disclosed |
| WO-2006023852-A2 | MODULATORS OF MUSCARINIC RECEPTORS | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2006-03-02 | — | — | WO | disclosed |
| WO-2006017406-A1 | CYANOAMIDINE P2X7 ANTAGONISTS FOR THE TREATMENT OF PAIN | ABBOTT LABORATORIES (US) | 2006-02-16 | — | — | WO | disclosed |
| WO-2004110997-A1 | 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA | GLAXO GROUP LIMITED (GB) | 2004-12-23 | — | — | WO | disclosed |