Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL134338 | 0.81 | DRD2 (0.54) | DRD2DRD3 | |
| SCHEMBL503067 | 0.81 | DRD2 (0.54) | DRD2DRD3 | |
| SCHEMBL503006 | 0.81 | DRD2 (0.54) | DRD2DRD3 | |
| Water SCHEMBL27978845 | 0.80 | DRD2 (0.66) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL3653333 | 0.80 | DRD2 (0.53) | DRD2DRD3 | |
| SCHEMBL82902 | 0.80 | DRD2 (0.53) | DRD2DRD3 | |
| SCHEMBL7880438 | 0.80 | DRD2 (0.53) | DRD2DRD3 | |
| SCHEMBL366065 | 0.80 | DRD2 (0.53) | DRD2DRD3 | |
| SCHEMBL323436 | 0.80 | DRD2 (0.66) | DRD2DRD3 | |
| Hydrochloric Acid SCHEMBL917502 | 0.80 | DRD2 (0.53) | DRD2DRD3 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103012259-B | Isosorbide-5-Nitrae-disubstituted 3-cyano-pyridone derivatives and the purposes as MGLUR2 receptor positive allosteric modulators thereof | ORTHO MCNEIL JANSSEN PHARM (US) | 2015-10-28 | — | — | CN | disclosed |
| CN-103497184-A | Pyrrolo-and thiazolo-pyridine compounds as HIF modulators | FIBROGEN INC | 2014-01-08 | — | — | CN | disclosed |
| CN-101437819-B | Pyridopyrazines and derivatives thereof as alk and c-MET inhibitors | CEPHALON INC | 2013-06-19 | — | — | CN | disclosed |
| CN-103012259-A | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors | JANSSEN PHARMACEUTICA NV | 2013-04-03 | — | — | CN | disclosed |
| CN-101400654-B | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors | ORTHO MCNEIL JANSSEN PHARM | 2013-01-02 | — | — | CN | disclosed |
| CN-101460497-A | Pyrrolopyridine and thiazolopyridine compounds as HIF modulators | FIBROGEN INC (US) | 2009-06-17 | — | — | CN | disclosed |
| CN-101437819-A | Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors | CEPHALON INC (US) | 2009-05-20 | — | — | CN | disclosed |
| CN-101400654-A | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors | ORTHO MCNEIL JANSSEN PHARM (US) | 2009-04-01 | — | — | CN | disclosed |
| CN-101370802-A | Triazoloanilinopyrimidine derivatives for use as antiviral agents | ARROW THERAPEUTICS LTD (GB) | 2009-02-18 | — | — | CN | disclosed |