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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL309296 | 0.98 | TSHR (0.48) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Fluoride Ion SCHEMBL17105891 | 0.96 | TSHR (0.47) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Hydrochloric Acid SCHEMBL26669427 | 0.96 | TSHR (0.47) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Hydrochloric Acid SCHEMBL127416 | 0.96 | TSHR (0.47) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Bromide SCHEMBL17105893 | 0.96 | TSHR (0.47) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Iodide SCHEMBL3132818 | 0.96 | TSHR (0.47) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Chloromethane SCHEMBL27393559 | 0.94 | TSHR (0.45) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Phosphoric Acid SCHEMBL28400130 | 0.91 | TSHR (0.42) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Acrylic Acid SCHEMBL3176462 | 0.90 | TSHR (0.41) | TSHRALDH1A1MAPK1TDP1ACACB | |
| Acrylic Acid SCHEMBL148976 | 0.90 | TSHR (0.41) | TSHRALDH1A1MAPK1TDP1ACACB |
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 52 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-20180185289-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2018-07-05 | — | — | US | disclosed |
| US-20180185292-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2018-07-05 | — | — | US | disclosed |
| US-20160367483-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2016-12-22 | — | — | US | disclosed |
| US-20160310432-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2016-10-27 | — | — | US | disclosed |
| US-20150272890-A1 | MISUSE PREVENTATIVE, CONTROLLED RELEASE FORMULATION | PALADIN LABS INC (CA) | 2015-10-01 | — | — | 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 |