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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | DRD3 | P35462 | 5/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | SLC22A2 | O15244 | 2/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.42 |
| ▸ | SLC22A3 | O75751 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | SCN1A | P35498 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969656 | 0.73 | HTR2A (0.54) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| SCHEMBL5501183 | 0.71 | HTR2A (0.43) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| SCHEMBL6969671 | 0.71 | DRD3 (0.46) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| Iodide SCHEMBL30832965 | 0.67 | RGS12 (0.36) | CHRM1CHRM3CHRM2CYP2D6RGS12 | |
| SCHEMBL6962464 | 0.67 | SLC6A4 (0.46) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| SCHEMBL14140510 | 0.66 | HTR2A (0.62) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| SCHEMBL8194500 | 0.65 | CHRM1 (0.55) | DRD2DRD3CHRM1CHRM3CHRM2 | |
| SCHEMBL7167660 | 0.65 | LTA4H (0.53) | DRD2DRD3CHRM1CHRM3CHRM2 | |
| SCHEMBL221187 | 0.65 | SLC6A4 (0.68) | DRD2DRD3SLC6A4CHRM1CHRM3 | |
| SCHEMBL7172628 | 0.65 | CHRM2 (0.54) | DRD2DRD3CHRM1CHRM3CHRM2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613791-B1 | Treating migraine, neurogenic inflammation, rheumatoid arthritis or insulin resistance | NOVO NORDISK A/S (DK) | 2003-09-02 | — | — | US | disclosed |
| EP-0820451-B1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK AS (DK) | 2003-01-15 | — | — | EP | disclosed |
| US-6239148-B1 | TREATMENT OF PAINFUL, HYPERALGESIC AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A ROLE BY ELICITING NEUROGENIC PAIN, INSULIN RESISTANCE IN DIABETES MELLITUS OR AGING, INHIBIT INSULIN ANTAGONIZING PEPTIDE, | NOVO NORDISK A/S (DK) | 2001-05-29 | — | — | US | disclosed |
| US-6166009-A | N-substituted azaheterocyclic carboxylic acids and esters thereof | NOVO NORDISK A/S (DK) | 2000-12-26 | — | — | US | disclosed |
| US-6110913-A | ANTIINFLAMMATORY AGENTS, ANALGESICS | NOVO NORDISK A/S (DK) | 2000-08-29 | — | — | US | disclosed |
| US-6071901-A | TREATING PAIN, HYPERALGESIA AND/OR INFLAMMATORY CONDITIONS IN WHICH C-FIBERS PLAY A PATHOPHYSIOLOGICAL ROLE; INHIBITION OF NEUROGENIC INFLAMMATION INVOLVING THE RELEASE OF NEURO-PEPTIDE FROM PERIPHERAL AND CENTRAL ENDINGS OF SENSORY NERVES | NOVO NORDISK A/S (DK) | 2000-06-06 | — | — | US | disclosed |
| EP-0820451-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1998-01-28 | — | — | EP | disclosed |
| WO-1996031498-A1 | NOVEL HETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1996-10-10 | — | — | WO | disclosed |