Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4762831 | 0.98 | PARP1 (0.44) | CYP3A4MAPTBRD4PARP1ALDH1A1 | |
| SCHEMBL3821050 | 0.86 | PARP1 (0.37) | CYP3A4MAPTBRD4PARP1ALDH1A1 | |
| SCHEMBL29561779 | 0.81 | MAOA (0.45) | CYP3A4MAPTBRD4ALDH1A1MAOA | |
| SCHEMBL10650554 | 0.81 | MAOA (0.45) | CYP3A4MAPTBRD4ALDH1A1MAOA | |
| SCHEMBL19038489 | 0.74 | GAA (0.58) | MAPTPARP1ALDH1A1MAOAKDM4E | |
| SCHEMBL333847 | 0.72 | GAA (0.63) | CYP3A4MAPTBRD4ALDH1A1MAOA | |
| SCHEMBL11044416 | 0.72 | BRD4 (0.45) | CYP3A4MAPTBRD4ALDH1A1MAOA | |
| SCHEMBL3903265 | 0.69 | CYP3A4 (0.50) | CYP3A4MAPTBRD4ALDH1A1MAOA | |
| SCHEMBL28122218 | 0.68 | PDE3A (0.34) | PARP1 | |
| SCHEMBL1705264 | 0.68 | CYP3A4 (0.59) | CYP3A4MAPTALDH1A1MAOAKDM4E |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019111225-A1 | COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS | AVALIV THERAPEUTICS (US) | 2019-06-13 | — | — | WO | disclosed |
| CN-109456268-A | The preparation of 3, the 4- dihydro-isoquinoline Alkaloid of C1 substitutions and its medical usage | 中国药科大学 | 2019-03-12 | — | — | CN | disclosed |
| WO-2013116491-A1 | CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS AND METHODS FOR USING THEM | RIGEL PHARMACEUTICALS, INC. (US) | 2013-08-08 | — | — | WO | disclosed |
| EP-2598483-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012016217-A1 | AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |
| EP-2391616-A1 | CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME | Rigel Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088392-A1 | CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME | RIGEL PHARMACEUTICALS, INC. (US) | 2010-08-05 | — | — | WO | disclosed |
| CN-101208305-A | 3,4-dihydroisoquinolinium salt derivatives | HANWHA CHEMICAL CORP (KR) | 2008-06-25 | — | — | CN | disclosed |
| EP-1896419-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2008-03-12 | — | — | EP | disclosed |
| CN-1310915-C | Pyrido(2,1-a)isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE (CH) | 2007-04-18 | — | — | CN | disclosed |
| WO-2006129978-A1 | 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES | HANWHA CHEMICAL CORPORATION (KR) | 2006-12-07 | — | — | WO | disclosed |
| CN-1639162-A | Pyrido(2,1-a)isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |
| EP-1091960-A1 | BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2001-04-18 | — | — | EP | disclosed |
| CN-1262677-A | Preparation of fused polycyclic alkaloids by ring closure of azomethine ylides, novel compounds thereof and their use as chemotherapeutic agents | UNIV AUSTRALIAN (AU) | 2000-08-09 | — | — | CN | disclosed |
| WO-2000000491-A1 | BIFUNCTIONAL ANTAGONISTS OF CYTOKINE-SENSITIVE PROTEIN KINASE ACTIVATION CASCADES AND METHODS FOR USE AS ANTI-INFLAMMATORY AGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2000-01-06 | — | — | WO | disclosed |
| EP-0801568-A4 | COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION | UNIV CALIFORNIA (US) | 1998-02-25 | — | — | EP | disclosed |
| EP-0801568-A1 | COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1997-10-22 | — | — | EP | disclosed |
| WO-1996020710-A1 | COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1996-07-11 | — | — | WO | disclosed |
| EP-0158312-B1 | 1-CYCLOHEXYL-3,4-DIHYDROISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENT CONTAINING THEM | RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) | 1990-09-12 | — | — | EP | disclosed |