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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | STAT1 | P42224 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP12 | P39900 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12030951 | 0.85 | KDM4E (0.50) | KDM4EGAASTAT1RAB9AMMP1 | |
| SCHEMBL177469 | 0.84 | KDM4E (0.49) | KDM4EGAASTAT1RAB9AMMP1 | |
| SCHEMBL27781810 | 0.81 | KDM4E (0.44) | KDM4EGAASTAT1RAB9AMMP1 | |
| Water SCHEMBL27997150 | 0.80 | MRGPRX4 (0.45) | KDM4ERAB9AALDH1A1L3MBTL1MAPT | |
| SCHEMBL12114041 | 0.72 | ALDH1A1 (0.69) | MMP1ALDH1A1MMP2MMP9MMP12 | |
| SCHEMBL20119309 | 0.71 | TDP1 (0.69) | KDM4EGAASTAT1RAB9AMMP1 | |
| SCHEMBL20877803 | 0.70 | ALDH1A1 (0.50) | RAB9AMMP1ALDH1A1MMP2MMP9 | |
| SCHEMBL6440001 | 0.70 | MAOB (0.64) | KDM4EGAASTAT1RAB9AMMP1 | |
| SCHEMBL522838 | 0.70 | ALDH1A1 (0.57) | KDM4EGAASTAT1RAB9AALDH1A1 | |
| SCHEMBL6133440 | 0.70 | FFAR4 (0.58) | KDM4EGAASTAT1RAB9AALDH1A1 |
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-104230971-A | Boronic acids and esters as inhibitors of fatty amide hydrolase | INFINITY PHARMACEUTICALS INC | 2014-12-24 | — | — | CN | disclosed |