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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | BCHE | P06276 | 7/20 | 0.56 |
| ▸ | ACHE | P22303 | 6/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL256682 | 0.85 | KMT2A (0.80) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL257336 | 0.82 | KMT2A (0.69) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL13078172 | 0.82 | MEN1 (0.47) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Hydrochloric Acid SCHEMBL8347648 | 0.80 | MEN1 (0.45) | MEN1TP53CYP1A2CYP2D6MAPT | |
| Bromide SCHEMBL14656035 | 0.80 | KMT2A (0.67) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL10619644 | 0.80 | MEN1 (0.50) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL7170348 | 0.80 | MEN1 (0.46) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL9967750 | 0.79 | MEN1 (0.48) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL19219091 | 0.78 | MEN1 (0.44) | MEN1TP53CYP1A2CYP2D6MAPT | |
| SCHEMBL13334282 | 0.78 | CHRNA7 (0.64) | BCHEACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240400400-A1 | ZEOLITE SYNTHESES UTILIZING BIS-PYRIDINIUM STRUCTURE DIRECTING AGENTS | EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) | 2024-12-05 | — | — | US | disclosed |
| EP-4402098-A2 | ZEOLITE SYNTHESES UTILIZING BIS-PYRIDINIUM STRUCTURE DIRECTING AGENTS | ExxonMobil Technology and Engineering Company (US) | 2024-07-24 | — | — | EP | disclosed |
| WO-2023044211-A2 | ZEOLITE SYNTHESES UTILIZING BIS-PYRIDINIUM STRUCTURE DIRECTING AGENTS | ExxonMobil Technology and Engineering Company (US) | 2023-03-23 | — | — | WO | disclosed |