Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.40 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21495073 | 1.00 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| Bromide SCHEMBL22094891 | 0.98 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| Bromide SCHEMBL1696091 | 0.98 | SLC6A3 (0.44) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| Propionic Acid SCHEMBL28356667 | 0.85 | ALDH1A1 (0.52) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| SCHEMBL11034374 | 0.79 | SLC6A2 (0.45) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| SCHEMBL225565 | 0.78 | SLC6A3 (0.48) | SLC6A3SLC6A2SLC6A4NPSR1KDM4E | |
| SCHEMBL4099842 | 0.78 | — | — | |
| SCHEMBL9185638 | 0.77 | SLC6A3 (0.56) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| SCHEMBL11877966 | 0.75 | KDM4E (0.49) | SLC6A3SLC6A2SLC6A4NPSR1GSK3B | |
| SCHEMBL4420495 | 0.75 | SLC6A3 (0.45) | SLC6A3SLC6A2SLC6A4NPSR1KDM4E |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110248663-A | 5- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) -5-azaspiro [2.5] octane-8-carboxylic acid derivatives as novel JAK kinase inhibitors | 利奥制药有限公司 | 2019-09-17 | — | — | CN | disclosed |
| EP-3194406-A1 | TRICYCLIC HETEROCYCLES FOR USE AS BET PROTEIN INHIBITORS | Incyte Holdings Corporation (US) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016044130-A1 | TRICYCLIC HETEROCYCLES FOR USE AS BET PROTEIN INHIBITORS | INCYTE CORPORATION (US) | 2016-03-24 | — | — | WO | disclosed |
| EP-2970282-A1 | TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS | Incyte Corporation (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014143768-A1 | TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS | INCYTE CORPORATION (US) | 2014-09-18 | — | — | WO | disclosed |
| EP-2670765-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | Bristol-Myers Squibb Company (US) | 2013-12-11 | — | — | EP | disclosed |
| WO-2013003298-A2 | INHIBITORS OF PDE10 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-03 | — | — | WO | disclosed |
| WO-2012170845-A2 | METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF | HEFFERNAN MICHELE L R (US) | 2012-12-13 | — | — | WO | disclosed |
| WO-2012106190-A1 | C-17 AND C-3 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-09 | — | — | WO | disclosed |
| EP-2473510-A1 | JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER | Bristol-Myers Squibb Company (US) | 2012-07-11 | — | — | EP | disclosed |
| EP-2414340-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |
| WO-2011028864-A1 | JAK2 INHIBITORS AND THEIR USE FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND CANCER | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-10 | — | — | WO | disclosed |
| WO-2010114971-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SEPRACOR INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| EP-2190466-A2 | TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF | Burnham Institute for Medical Research (US) | 2010-06-02 | — | — | EP | disclosed |
| WO-2009114552-A1 | HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2009-09-17 | — | — | WO | disclosed |
| WO-2009042294-A2 | TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2009-04-02 | — | — | WO | disclosed |
| EP-1467981-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | Kylix Pharmaceuticals B.V. (NL) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003062215-A1 | 4(HETERO-) ARYL SUBSTITUTED (THIA-/OXA-/PYRA) ZOLES FOR INHIBITION OF TIE-2 | KYLIX PHARMACEUTICALS B.V. (NL) | 2003-07-31 | — | — | WO | disclosed |