Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2774954 | 0.84 | CNR1 (0.44) | CNR1HSD17B1HSD17B2CYP1A2CYP3A4 | |
| SCHEMBL27877828 | 0.82 | HSD17B1 (0.46) | CNR1HSD17B1HSD17B2SMN1; SMN2RELA | |
| SCHEMBL11338374 | 0.78 | HSD17B1 (0.55) | HSD17B1HSD17B2CYP3A4CYP2C9MEN1 | |
| SCHEMBL3927813 | 0.78 | DYRK1A (0.68) | CYP1A2CYP3A4CYP2C9DYRK1ADYRK1B | |
| SCHEMBL28574792 | 0.78 | HSD17B1 (0.51) | CNR1HSD17B1HSD17B2CYP1A2CYP3A4 | |
| SCHEMBL7915311 | 0.76 | HSD17B1 (0.61) | CNR1ARHSD17B1HSD17B2CYP3A4 | |
| SCHEMBL27662659 | 0.75 | MAOA (0.46) | ARTSHRALDH1A1LMNAGAA | |
| SCHEMBL3907230 | 0.74 | AR (0.44) | CNR1ARHSD17B1HSD17B2CYP3A4 | |
| SCHEMBL14985526 | 0.74 | RAB9A (0.57) | NPC1RAB9AMEN1HPGDKMT2A | |
| SCHEMBL17570199 | 0.73 | HSD17B1 (0.62) | CNR1ARHSD17B1HSD17B2CYP3A4 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017121308-A1 | FUSED PYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Chongqing Fochon Pharmaceutical Co., Ltd. (CN) | 2017-07-20 | — | — | WO | disclosed |
| CN-101273047-A | Thieno [2, 3-B ] pyridine-5-carbonitriles as protein kinase inhibitors | WYETH CORP (US) | 2008-09-24 | — | — | CN | disclosed |
| EP-1937690-A1 | THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007038519-A1 | THIENO[2,3-B]PYRIDINE-5-CARBONITRILES AS PROTEIN KINASE INHIBITORS | WYETH (US) | 2007-04-05 | — | — | WO | disclosed |
| EP-1606255-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-02-07 | — | — | EP | disclosed |
| EP-1606255-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004071460-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-08-26 | — | — | WO | disclosed |
| WO-1999043682-A9 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORP (US) | 1999-11-11 | — | — | WO | disclosed |
| WO-1999043681-A1 | 4-(4-PIPERIDYLMETHYLAMINO) SUBSTITUTED HETEROARYL FUSED PYRIDINES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | disclosed |
| WO-1999043682-A1 | 2-(HET-)ARYL-4-(CYCLIC AMINO SUBSTITUTED) HETEROARYL FUSED PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS (ANT-)AGONISTS FOR GABA (A) BRAIN RECEPTORS | NEUROGEN CORPORATION (US) | 1999-09-02 | — | — | WO | disclosed |
| EP-0254611-B1 | DERIVATIVES OF 8-PHENYLTHIOTETRAHYDROQUINOLINES AND THEIR SALTS, THEIR SYNTHESIS FOR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1991-06-12 | — | — | EP | disclosed |
| EP-0254611-A1 | Derivatives of 8-phenylthiotetrahydroquinolines and their salts, their synthesis for use as medicaments and compositions containing them | ROUSSEL-UCLAF (FR) | 1988-01-27 | — | — | EP | disclosed |