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 | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | RGS12 | O14924 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7892362 | 0.98 | ADRA2C (0.57) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| SCHEMBL3386727 | 0.98 | ADRA2C (0.57) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Bromide SCHEMBL306447 | 0.96 | ADRA2C (0.55) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Hydrochloric Acid SCHEMBL3386662 | 0.96 | ADRA2C (0.55) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Iodide SCHEMBL6742484 | 0.79 | KDM4E (0.55) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Iodide SCHEMBL6742483 | 0.79 | KDM4E (0.55) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| SCHEMBL26858844 | 0.78 | ADRA2C (0.50) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Bromide SCHEMBL25252124 | 0.76 | ADRA2C (0.48) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Bromide SCHEMBL26653709 | 0.76 | ADRA2C (0.48) | ADRA2CCHRM2ADRA1ARGS12GLA | |
| Bromide SCHEMBL6005252 | 0.76 | ADRA2C (0.48) | ADRA2CCHRM2ADRA1ARGS12GLA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0125090-B1 | INDOLINE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-09-12 | — | — | EP | disclosed |
| EP-0168181-B1 | CYCLIC AMIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-08-29 | — | — | EP | disclosed |
| EP-0115679-B1 | CHEMICAL PROCESS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-10-14 | — | — | EP | disclosed |
| US-4611062-A | Process for resolving certain spiro compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-09-09 | — | — | US | disclosed |
| US-4581366-A | Aldose reductase inhibition by spiro indoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-08 | — | — | US | disclosed |
| US-4567278-A | Process for racemizing certain spiro compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-01-28 | — | — | US | disclosed |
| US-4490381-A | HYPOGLYCEMIC AND ANTIDIABETIC AGENTS, ALSO ALDOSE REDUCTASE INHIBIIOTRS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-12-25 | — | — | US | disclosed |
| EP-0125090-A2 | Indoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-11-14 | — | — | EP | disclosed |
| EP-0028906-B1 | 1'-SUBSTITUTED-SPIRO(IMIDAZOLIDINE-4,3'-INDOLINE)-2,2',5-TRIONES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-10-03 | — | — | EP | disclosed |
| EP-0115679-A1 | Chemical process | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-15 | — | — | EP | disclosed |
| EP-0028906-A1 | 1'-Substituted-spiro(imidazolidine-4,3'-indoline)-2,2',5-triones, processes for their manufacture and pharmaceutical compositions thereof | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-05-20 | — | — | EP | disclosed |