Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 11/20 | 0.60 |
| ▸ | IAPP | P10997 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | GUSB | P08236 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1344557 | 1.00 | PYGL (0.60) | PYGLIAPPPTGS1PTGS2GUSB | |
| SCHEMBL22209086 | 0.85 | IAPP (0.71) | IAPPPTGS1PTGS2GUSBTDP1 | |
| SCHEMBL22209087 | 0.85 | IAPP (0.71) | IAPPPTGS1PTGS2GUSBTDP1 | |
| SCHEMBL14926714 | 0.85 | IAPP (0.56) | PYGLIAPPPTGS1PTGS2TDP1 | |
| SCHEMBL5479840 | 0.84 | IAPP (0.54) | PYGLIAPPPTGS1PTGS2TDP1 | |
| SCHEMBL29373808 | 0.84 | IAPP (0.54) | PYGLIAPPPTGS1PTGS2TDP1 | |
| SCHEMBL5479835 | 0.84 | IAPP (0.54) | PYGLIAPPPTGS1PTGS2TDP1 | |
| SCHEMBL28529134 | 0.84 | IAPP (0.54) | PYGLIAPPPTGS1PTGS2TDP1 | |
| SCHEMBL1124517 | 0.82 | PYGL (0.62) | PYGLPTGS2GUSBTDP1NPC1 | |
| SCHEMBL2905065 | 0.82 | PYGL (0.62) | PYGLPTGS2GUSBTDP1NPC1 |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2398768-B1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2016-08-24 | — | — | EP | disclosed |
| EP-2001849-B1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-26 | — | — | EP | disclosed |
| US-8318759-B2 | Pyrrolidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-11-27 | — | — | US | disclosed |
| EP-2468727-A1 | Pyridine and pyrimidine derivatives as MGLUR2 antagonists | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | disclosed |
| US-8183262-B2 | Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | disclosed |
| EP-2398768-A1 | PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| US-8063075-B2 | Pyrrolidine ether derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2294063-B1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-11-02 | — | — | EP | disclosed |
| US-8012998-B2 | Pyrrolidine aryl-ether as NK-3 receptor antagonists | Hoffmann—La Roche Inc. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2190815-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-08-10 | — | — | EP | disclosed |
| EP-0316790-B1 | RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1993-08-11 | — | — | EP | disclosed |
| WO-1993007109-A1 | 3,4-DIHYDRO-4-OXO-3-(PROP-2-ENYL)-1-PHTALAZINEACETIC ACIDS AND DERIVATIVES, PREPARATIONS THEREOF AND DRUGS CONTAINING SAME | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1993-04-15 | — | — | WO | disclosed |
| US-4897406-A | CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1990-01-30 | — | — | US | disclosed |
| EP-0316790-A1 | Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1989-05-24 | — | — | EP | disclosed |
| EP-0036718-B1 | 7-CHLORO-3-SUBSTITUTED ARYL-3,4-DIHYDRO-1,9(2H,10H) AND 10-HYDROXY ACRIDINEDIONEIMINES, PROCESSES FOR PRODUCING THE ACRIDINEDIONEIMINES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE ACRIDINEDIONEIMINES | WARNER-LAMBERT COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |
| EP-0043141-B1 | PHARMACEUTICAL COMPOSITIONS HAVING ANTIVIRAL ACTIVITY FOR TOPICAL ADMINISTRATION AND THE USE OF 1-(SUBSTITUTED PHENYL)-5-(4-MORPHOLINYL)-1-PENTEN-3-ONE COMPOUNDS FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS HAVING AN ANTIVIRAL EFFECT | MERRELL DOW PHARMACEUTICALS INC. (US) | 1984-09-12 | — | — | EP | disclosed |
| US-4400380-A | HERBES VIRUS; TOPICAL | MERRELL DOW PHARMACEUTICALS INC. (US) | 1983-08-23 | — | — | US | disclosed |
| EP-0043141-A1 | Pharmaceutical compositions having antiviral activity for topical administration and the use of 1-(substituted phenyl)-5-(4-morpholinyl)-1-penten-3-one compounds for the preparation of pharmaceutical compositions having an antiviral effect | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-01-06 | — | — | EP | disclosed |
| EP-0036718-A2 | 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10-hydroxy acridinedioneimines, processes for producing the acridinedioneimines, and pharmaceutical compositions containing the acridinedioneimines | WARNER-LAMBERT COMPANY (US) | 1981-09-30 | — | — | EP | disclosed |
| US-4291034-A | 7-Chloro-3-substituted aryl-3,4-dihydro-1,9(2H,10H) and 10 hydroxy acridinedioneimines having antimalarial activity | WARNER LAMBERT COMPANY (US) | 1981-09-22 | — | — | US | disclosed |