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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | APAF1 | O14727 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.53 |
| ▸ | FDPS | P14324 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PON1 | P27169 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1076116 | 0.98 | — | — | |
| Bromide SCHEMBL530822 | 0.96 | SMN1; SMN2 (0.58) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| Hydrochloric Acid SCHEMBL1029322 | 0.96 | SMN1; SMN2 (0.53) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| SCHEMBL28208209 | 0.90 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| SCHEMBL9950539 | 0.90 | SMN1; SMN2 (0.49) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| Water SCHEMBL17764770 | 0.86 | SMN1; SMN2 (0.61) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| SCHEMBL24238633 | 0.85 | SMN1; SMN2 (0.61) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| SCHEMBL15136817 | 0.84 | SMN1; SMN2 (0.63) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| Bromide SCHEMBL530786 | 0.83 | SMN1; SMN2 (0.65) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B | |
| SCHEMBL17350737 | 0.83 | SMN1; SMN2 (0.65) | SMN1; SMN2MEN1APAF1NPC1PLA2G1B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103920534-B | Metal organic framework material immobilized alkaline ionic liquid catalyst and preparation method thereof | DALIAN UNIVERSITY OF TECHNOLOGY (CN) | 2016-01-27 | — | — | CN | claimed |
| CN-103936536-B | Application of molecular size-selective catalyst in catalyzing Knoevenagel condensation reaction | UNIV DALIAN TECH | 2015-07-22 | — | — | CN | claimed |
| CN-103936536-A | Application of molecular size-selective catalyst in catalyzing Knoevenagel condensation reaction | UNIV DALIAN TECH | 2014-07-23 | — | — | CN | claimed |
| CN-103920534-A | Metal organic framework material immobilized alkaline ionic liquid catalyst and preparation method thereof | UNIV DALIAN TECH | 2014-07-16 | — | — | CN | claimed |
| CN-109988115-A | A kind of double basic functionalized ionic liquids and preparation method thereof with surface-active | 枣庄学院 | 2019-07-09 | — | — | CN | disclosed |
| CN-103920534-B | Metal organic framework material immobilized alkaline ionic liquid catalyst and preparation method thereof | DALIAN UNIVERSITY OF TECHNOLOGY (CN) | 2016-01-27 | — | — | CN | disclosed |
| CN-103936536-B | Application of molecular size-selective catalyst in catalyzing Knoevenagel condensation reaction | UNIV DALIAN TECH | 2015-07-22 | — | — | CN | disclosed |
| CN-103936536-A | Application of molecular size-selective catalyst in catalyzing Knoevenagel condensation reaction | UNIV DALIAN TECH | 2014-07-23 | — | — | CN | disclosed |
| CN-103920534-A | Metal organic framework material immobilized alkaline ionic liquid catalyst and preparation method thereof | UNIV DALIAN TECH | 2014-07-16 | — | — | CN | disclosed |