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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.56 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TGM2 | P21980 | 4/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | CBLB | Q13191 | 5/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 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 | |
|---|---|---|---|---|
| SCHEMBL192702 | 0.98 | ZDHHC20 (0.58) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Bromide SCHEMBL475865 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Hydrochloric Acid SCHEMBL26669425 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Iodide SCHEMBL2254575 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Iodide SCHEMBL17105877 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Fluoride Ion SCHEMBL17105892 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Hydrochloric Acid SCHEMBL127417 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Hydrochloric Acid SCHEMBL3405400 | 0.96 | ZDHHC20 (0.56) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Hydrochloric Acid SCHEMBL31470991 | 0.94 | ZDHHC20 (0.55) | ZDHHC20ZDHHC2KMT2AATMTSHR | |
| Chloromethane SCHEMBL27393558 | 0.94 | ZDHHC20 (0.55) | ZDHHC20ZDHHC2KMT2AATMTSHR |
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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180185289-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2018-07-05 | — | — | US | claimed |
| US-20160310432-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2016-10-27 | — | — | US | claimed |
| EP-2367541-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | Labopharm Inc. (CA) | 2011-09-28 | — | — | EP | claimed |
| US-20100239662-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | ENDO OPERATIONS LIMITED (IE) | 2010-09-23 | — | — | US | claimed |
| WO-2010069050-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | LABOPHARM INC. (CA) | 2010-06-24 | — | — | WO | claimed |
| US-20090175937-A1 | Misuse Preventative, Controlled Release Formulation | LABOPHARM, INC. | 2009-07-09 | — | — | US | claimed |
| JP-2007503991-A | — | — | 2007-03-01 | — | — | JP | claimed |
| US-7179851-B2 | Damage-resistant superabsorbent materials | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2007-02-20 | — | — | US | claimed |
| WO-2005025628-A1 | DAMAGE-RESISTANT SUPERABSORBENT MATERIALS | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2005-03-24 | — | — | WO | claimed |
| US-20050054784-A1 | Withstand mechanical forces without reduction in absorbency properties; diapers; Absorbent Product Processing Simulation Test; treated by adding a coating of a hydrophilic soft polymer crosslinked with a (meth)acrylate having alkoxysilane groups the superabsorbent material | KIMBERLY-CLARK WORLDWIDE, INC. | 2005-03-10 | — | — | US | claimed |
| US-20200030752-A1 | MEMBRANES FOR GAS SEPARATION | OHIO STATE INNOVATION FOUNDATION | 2020-01-30 | — | — | US | disclosed |
| EP-3344372-A1 | MEMBRANES FOR GAS SEPARATION | Ohio State Innovation Foundation (US) | 2018-07-11 | — | — | EP | disclosed |
| US-20180185292-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2018-07-05 | — | — | US | disclosed |
| US-20180185289-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2018-07-05 | — | — | US | disclosed |
| US-20170056839-A1 | MEMBRANES FOR GAS SEPARATION | OHIO STATE INNOVATION FOUNDATION | 2017-03-02 | — | — | US | disclosed |
| WO-2005067854-A1 | STRETCHABLE ABSORBENT COMPOSITES HAVING HIGH PERMEABILITY | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| US-20050148964-A1 | Absorbent structure having profiled stabilization | KIMBERLY-CLARK WORLDWIDE, INC. | 2005-07-07 | — | — | US | disclosed |
| US-20050137085-A1 | Stretchable absorbent composites having high permeability | KIMBERLY-CLARK WORLDWIDE, INC. | 2005-06-23 | — | — | US | disclosed |
| WO-2005025628-A1 | DAMAGE-RESISTANT SUPERABSORBENT MATERIALS | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| US-20050054784-A1 | Withstand mechanical forces without reduction in absorbency properties; diapers; Absorbent Product Processing Simulation Test; treated by adding a coating of a hydrophilic soft polymer crosslinked with a (meth)acrylate having alkoxysilane groups the superabsorbent material | KIMBERLY-CLARK WORLDWIDE, INC. | 2005-03-10 | — | — | US | disclosed |