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 | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5086967 | 0.94 | EPHX1 (0.50) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| Bromide SCHEMBL5091934 | 0.94 | EPHX1 (0.50) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5091807 | 0.94 | EPHX1 (0.50) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL9496837 | 0.88 | EPHX1 (0.46) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7178324 | 0.86 | EPHX1 (0.44) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| Water SCHEMBL7721938 | 0.84 | TP53 (0.48) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL7170403 | 0.84 | EPHX1 (0.42) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| Phenol SCHEMBL18009564 | 0.84 | EPHX1 (0.42) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7181573 | 0.84 | EPHX1 (0.42) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 | |
| SCHEMBL7178357 | 0.84 | EPHX1 (0.42) | EPHX1CALM1TAAR1SLC6A2SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0056145-B1 | PROCESS FOR THE PRODUCTION OF INORGANIC-ORGANIC FOAMS | Mobay Chemical Corporation (US) | 1985-06-12 | — | — | EP | disclosed |
| US-4355118-A | POLYISOCYANATE, ALKALIMETAL SILICATE, ONIUM COMPOUND | MOBAY CHEMICAL CORPORATION (US) | 1982-10-19 | — | — | US | disclosed |