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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBLB | Q13191 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.31 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL173752 | 0.99 | CBLB (0.39) | CBLBKMT2AATMAPEX1EPHX2 | |
| Hydrochloric Acid SCHEMBL3644712 | 0.97 | CBLB (0.39) | CBLBKMT2AATMAPEX1EPHX2 | |
| Water SCHEMBL28011897 | 0.86 | EPHX2 (0.41) | CBLBKMT2AATMEPHX2HDAC1 | |
| SCHEMBL3288796 | 0.85 | APEX1 (0.44) | KMT2AAPEX1EPHX2HDAC1SMN1; SMN2 | |
| Water SCHEMBL15389892 | 0.84 | ZDHHC20 (0.49) | CBLBKMT2AATMEPHX2ZDHHC20 | |
| SCHEMBL3890436 | 0.82 | ZDHHC20 (0.50) | CBLBKMT2AATMEPHX2ZDHHC20 | |
| SCHEMBL19547975 | 0.82 | BBOX1 (0.41) | CBLBKMT2AATMAPEX1EPHX2 | |
| Water SCHEMBL19888881 | 0.81 | CBLB (0.36) | CBLBKMT2AATMAPEX1 | |
| Water SCHEMBL15389557 | 0.81 | ZDHHC20 (0.49) | CBLBKMT2AATMEPHX2ZDHHC20 | |
| Sulfuric Acid SCHEMBL25230184 | 0.80 | APEX1 (0.42) | CBLBKMT2AATMAPEX1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8575276-B2 | Biomimetic compounds and synthetic methods therefor | KNC NER ACQUISITION SUB, INC. (US) | 2013-11-05 | — | — | US | claimed |
| US-20120078296-A1 | BIOMIMETIC COMPOUNDS AND SYNTHETIC METHODS THEREFOR | KNC NER ACQUISITION SUB, INC. (US) | 2012-03-29 | — | — | US | claimed |
| US-8030413-B2 | Biomimetic compounds and synthetic methods therefor | KNC NER ACQUISITION SUB, INC. (US) | 2011-10-04 | — | — | US | claimed |
| US-7622533-B2 | Biomimetic compounds and synthetic methods therefor | NERITES CORPORATION (US) | 2009-11-24 | — | — | US | claimed |
| EP-2801401-B1 | OUTSTANDINGLY CONTAMINATION RESISTANT REVERSE OSMOSIS MEMBRANE AND PRODUCTION METHOD THEREFOR | LG CHEMICAL LTD (KR) | 2018-12-12 | — | — | EP | disclosed |
| US-20180057728-A1 | Drilling Fluid Additive Composition Suitable for Coal-Bed Gas Wells, and Water-Based Drilling Fluid and Use Thereof | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2018-03-01 | — | — | US | disclosed |
| US-9902890-B1 | Drilling fluid additive composition suitable for coal-bed gas wells, and water-based drilling fluid and use thereof | CHINA UNIVERSITY OF PETROLEUM (BEIJING) (CN) | 2018-02-27 | — | — | US | disclosed |
| US-9150414-B2 | Nanocomposite and dispersion comprising the same | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2015-10-06 | — | — | US | disclosed |
| EP-2801401-A1 | OUTSTANDINGLY CONTAMINATION RESISTANT REVERSE OSMOSIS MEMBRANE AND PRODUCTION METHOD THEREFOR | LG Chem, Ltd. (KR) | 2014-11-12 | — | — | EP | disclosed |
| US-8646617-B2 | Reverse osmosis membrane having good antifouling properties and method of manufacturing the same | LG CHEM, LTD. (KR) | 2014-02-11 | — | — | US | disclosed |
| US-20130306550-A1 | REVERSE OSMOSIS MEMBRANE HAVING GOOD ANTIFOULING PROPERTIES AND METHOD OF MANUFACTURING THE SAME | LG CHEM, LTD. (KR) | 2013-11-21 | — | — | US | disclosed |
| US-20120053288-A1 | NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME | KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) | 2012-03-01 | — | — | US | disclosed |