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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1831826 | 0.98 | ALOX15 (0.49) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Iodide SCHEMBL1744004 | 0.96 | ALOX15 (0.50) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Iodide SCHEMBL30731330 | 0.96 | ALOX15 (0.50) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Hydrochloric Acid SCHEMBL5146622 | 0.96 | ALOX15 (0.47) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Bromide SCHEMBL9327194 | 0.96 | ALOX15 (0.47) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Formic Acid SCHEMBL29271990 | 0.87 | ALOX15 (0.45) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Bicarbonate SCHEMBL29765381 | 0.85 | ALOX15 (0.44) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Bicarbonate SCHEMBL17911350 | 0.85 | ALOX15 (0.41) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| SCHEMBL13640709 | 0.84 | RAB9A (0.50) | ALOX15KMT2AALDH1A1APAF1RAD52 | |
| Sulfuric Acid SCHEMBL6068895 | 0.84 | LMNA (0.44) | ALOX15KMT2AALDH1A1APAF1RAD52 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10807875-B2 | Zeolite syntheses and directing agents | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2020-10-20 | — | — | US | disclosed |
| US-20200109058-A1 | ZEOLITE SYNTHESES AND DIRECTING AGENTS | EXXONMOBIL RES & ENG CO (US) | 2020-04-09 | — | — | US | disclosed |