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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL972024 | 0.97 | — | — | |
| Fluoride Ion SCHEMBL11777456 | 0.95 | ALDH1A1 (0.36) | ALDH1A1MAPK1MGLLCA1CA2 | |
| Hydrochloric Acid SCHEMBL8459940 | 0.95 | ALDH1A1 (0.36) | ALDH1A1MAPK1MGLLCA1CA2 | |
| SCHEMBL2155974 | 0.88 | ALDH1A1 (0.34) | ALDH1A1MAPK1 | |
| SCHEMBL27846605 | 0.84 | ALDH1A1 (0.33) | ALDH1A1MGLLCA1CA2CA4 | |
| SCHEMBL5674662 | 0.84 | ALDH1A1 (0.30) | ALDH1A1 | |
| Acetic Acid SCHEMBL27752333 | 0.81 | GAA (0.33) | ALDH1A1CA1CA2CA4GAA | |
| SCHEMBL973757 | 0.77 | — | — | |
| SCHEMBL5551583 | 0.76 | CYP2A6 (0.31) | — | |
| SCHEMBL9619110 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0894102-B8 | COPOLYMERS OF HIGH VINYLIDENE POLYOLEFINS WITH VINYL OR VINYLIDENE MONOMERS PRODUCED BY FREE RADICAL POLYMERIZATION | O & D USA LLC (US) | 2006-01-18 | — | — | EP | disclosed |
| CN-1157454-C | Adhesive containing copolymer of macromonomer and unsaturated acid or anhydride | 埃克森美孚化学专利公司 | 2004-07-14 | — | — | CN | disclosed |
| EP-1141042-A1 | IMPROVED PROCESS FOR MAKING POLYALKYLENE/MALEIC AHYDRIDE COPOLYMER | Chevron Oronite Company LLC (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1027411-A4 | COPOLYMERS OF ETHYLENE $g(a)-OLEFIN MACROMERS AND DICARBOXYLIC MONOMERS AND DERIVATIVES THEREOF, USEFUL AS ADDITIVES IN LUBRICATING OILS AND IN FUELS | EXXONMOBIL CHEM PATENTS INC (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2001034663-A1 | IMPROVED PROCESS FOR MAKING POLYALKYLENE/MALEIC AHYDRIDE COPOLYMER | CHEVRON ORONITE COMPANY LLC (US) | 2001-05-17 | — | — | WO | disclosed |
| CN-1272867-A | Adhesive comprising copolymers of macromonomers and unsaturated acids or anhydrides | EXXON CHEMICAL PATENTS INC (US) | 2000-11-08 | — | — | CN | disclosed |
| EP-1027411-A1 | COPOLYMERS OF ETHYLENE $g(a)-OLEFIN MACROMERS AND DICARBOXYLIC MONOMERS AND DERIVATIVES THEREOF, USEFUL AS ADDITIVES IN LUBRICATING OILS AND IN FUELS | EXXON CHEMICAL PATENTS INC. (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999016851-A1 | COPOLYMERS OF ETHYLENE α-OLEFIN MACROMERS AND DICARBOXYLIC MONOMERS AND DERIVATIVES THEREOF, USEFUL AS ADDITIVES IN LUBRICATING OILS AND IN FUELS | EXXON CHEMICAL PATENTS INC. (US) | 1999-04-08 | — | — | WO | disclosed |
| EP-0894102-A1 | COPOLYMERS OF HIGH VINYLIDENE POLYOLEFINS WITH VINYL OR VINYLIDENE MONOMERS PRODUCED BY FREE RADICAL POLYMERIZATION | AMOCO CORPORATION (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998037112-A1 | COPOLYMERS OF HIGH VINYLIDENE POLYOLEFINS WITH VINYL OR VINYLIDENE MONOMERS PRODUCED BY FREE RADICAL POLYMERIZATION | AMOCO CORPORATION (US) | 1998-08-27 | — | — | WO | disclosed |