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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL7872902 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Hydrochloric Acid SCHEMBL7865432 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| SCHEMBL7865515 | 0.94 | DNM1 (0.41) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| SCHEMBL3327923 | 0.86 | DNM1 (0.36) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Acetic Acid SCHEMBL7872844 | 0.80 | CA1 (0.48) | TSHRCYP3A4CA2MAPK1CA1 | |
| Propionic Acid SCHEMBL7872948 | 0.78 | CA2 (0.47) | TSHRCYP3A4CA2MAPK1CA1 | |
| Water SCHEMBL553358 | 0.73 | DNM1 (0.45) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Water SCHEMBL11520091 | 0.73 | DNM1 (0.53) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Bromide SCHEMBL28984368 | 0.73 | DNM1 (0.43) | DNM1TSHRALDH1A1CYP3A4OPRM1 | |
| Hydrochloric Acid SCHEMBL667720 | 0.71 | SPHK1 (0.39) | DNM1ALDH1A1OPRM1FDPSCA2 |
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-6316575-B1 | MELT TRANSESTERIFICATION OF DIOL COMPOUND AND CARBOANTE COMPOUND USING CATALYST COMPRISING A PHOSPHORUS-CONTAINING BASIC COMPOUND QUATERNARY PHOSPHONIUM SALT TO FORM POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 2001-11-13 | — | — | US | claimed |
| US-7390868-B2 | Catalyst for polycarbonate production and process for producing polycarbonate | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-06-24 | — | — | US | disclosed |
| US-20070043199-A1 | Catalyst for polycarbonate production and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2007-02-22 | — | — | US | disclosed |