Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | ERN1 | O75460 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | RIOK2 | Q9BVS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL27963834 | 0.82 | CYP2A6 (0.42) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL2425555 | 0.82 | XDH (0.47) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL720558 | 0.78 | CYP1A2 (0.56) | CYP2A6KMT2ARAB9A | |
| SCHEMBL29955760 | 0.78 | CYP1A2 (0.56) | CYP2A6KMT2ARAB9A | |
| SCHEMBL15352007 | 0.78 | CYP2A6 (0.50) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL27774313 | 0.77 | CYP2A6 (0.41) | CYP2A6KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL20103 | 0.77 | CYP2A6 (0.44) | CYP2A6MEN1KMT2AMAOBMAOA | |
| SCHEMBL11739548 | 0.77 | CYP1A2 (0.59) | CYP2A6MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL29058801 | 0.77 | CYP1A2 (0.48) | CYP2A6ALDH1A1KMT2ARAB9A | |
| SCHEMBL11634757 | 0.77 | CYP1A2 (0.48) | CYP2A6ALDH1A1KMT2ARAB9A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2797913-A1 | QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS | Janssen R&D Ireland (IE) | 2014-11-05 | — | — | EP | disclosed |
| WO-2013098320-A1 | QUINAZOLINONE DERIVATIVES AS HCV INHIBITORS | JANSSEN R&D IRELAND (IE) | 2013-07-04 | — | — | WO | disclosed |
| EP-2598498-A1 | HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS | Janssen R&D Ireland (IE) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012123298-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| EP-2499115-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2499127-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-09-19 | — | — | EP | disclosed |
| EP-2496572-A1 | BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES | Janssen R&D Ireland (IE) | 2012-09-12 | — | — | EP | disclosed |
| WO-2012013643-A1 | HETERO-BICYCLIC DERIVATIVES AS HCV INHIBITORS | TIBOTEC PHARMACEUTICALS (IE) | 2012-02-02 | — | — | WO | disclosed |
| WO-2011091446-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2011-07-28 | — | — | WO | disclosed |
| WO-2011059887-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011059850-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-05-19 | — | — | WO | disclosed |
| WO-2011054834-A1 | BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES | TIBOTEC PHARMACEUTICALS (IE) | 2011-05-12 | — | — | WO | disclosed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |
| EP-2024272-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | Renovis, Inc. (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007133637-A2 | AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME | RENOVIS, INC. (US) | 2007-11-22 | — | — | WO | disclosed |
| US-4447452-A | ANTIDIABETIC AGENT | AYERST, MCKENNA & HARRISON INC. (CA) | 1984-05-08 | — | — | US | disclosed |