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 | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 6/20 | 0.34 |
| ▸ | CA1 | P00915 | 6/20 | 0.34 |
| ▸ | CA2 | P00918 | 6/20 | 0.34 |
| ▸ | CA6 | P23280 | 6/20 | 0.34 |
| ▸ | CA5A | P35218 | 6/20 | 0.34 |
| ▸ | CA7 | P43166 | 6/20 | 0.34 |
| ▸ | CA9 | Q16790 | 6/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 6/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 6/20 | 0.34 |
| ▸ | CA4 | P22748 | 5/20 | 0.34 |
| ▸ | CTSS | P25774 | 7/20 | 0.33 |
| ▸ | CA3 | P07451 | 5/20 | 0.32 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2413125 | 0.77 | HSD11B1 (0.40) | COMTTRPV4CA12CA1CA2 | |
| SCHEMBL2419617 | 0.73 | TTR (0.42) | COMTTRPV4CA12CA1CA2 | |
| SCHEMBL28039072 | 0.72 | ALDH1A1 (0.51) | COMTCTSSTSHR | |
| SCHEMBL2415595 | 0.71 | COMT (0.43) | COMTCA12CA1CA2CA6 | |
| SCHEMBL841820 | 0.70 | TP53 (0.42) | CCR2HPGDTSHR | |
| Water SCHEMBL28820905 | 0.70 | MMP13 (0.41) | — | |
| SCHEMBL19618050 | 0.68 | KMO (0.48) | COMTCA12CA1CA2CA6 | |
| SCHEMBL24168894 | 0.68 | CA1 (0.43) | CA12CA1CA2CA6CA5A | |
| SCHEMBL30291940 | 0.68 | CA1 (0.43) | CA12CA1CA2CA6CA5A | |
| SCHEMBL14741961 | 0.68 | CTSS (0.35) | COMTCA12CA1CA2CA6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102884047-B | 2-pyridone compounds | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |