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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15367679 | 0.98 | CHKA (0.48) | CHKARAB9AKDM4EALDH1A1NPC1 | |
| Bromide SCHEMBL1883010 | 0.80 | CHRNA7 (0.46) | CHKACYP1A2CYP2A6TAAR1 | |
| SCHEMBL18459217 | 0.79 | CHKA (0.48) | CHKAALDH1A1BCHEACHE | |
| SCHEMBL15367702 | 0.79 | FDPS (0.33) | CHKARAB9AKDM4EALDH1A1 | |
| SCHEMBL12014096 | 0.79 | IDO1 (0.38) | CHKARAB9ABCHEACHEIDO1 | |
| Benzylimidazole SCHEMBL339106 | 0.79 | ALDH1A1 (0.46) | CHKARAB9AKDM4EALDH1A1ACHE | |
| Benzylimidazole SCHEMBL3786784 | 0.77 | ALDH1A1 (0.44) | CHKARAB9AKDM4EALDH1A1ACHE | |
| Benzylimidazole SCHEMBL1123480 | 0.77 | ALDH1A1 (0.49) | CHKARAB9AKDM4EALDH1A1ACHE | |
| Benzylimidazole SCHEMBL16237306 | 0.77 | CHKA (0.46) | CHKARAB9AKDM4EALDH1A1ACHE | |
| SCHEMBL23301461 | 0.75 | ALDH1A1 (0.38) | CHKAALDH1A1BCHEACHE |
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-108071452-A | Waste gas purification apparatus | 现代自动车株式会社 | 2018-05-25 | — | — | CN | disclosed |