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 | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4826730 | 0.98 | IDO1 (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| SCHEMBL31321441 | 0.97 | GAA (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Hydrochloric Acid SCHEMBL6633309 | 0.95 | GAA (0.36) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| SCHEMBL29515524 | 0.95 | IDO1 (0.39) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Iodide SCHEMBL6591776 | 0.95 | GAA (0.36) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Bromide SCHEMBL2447458 | 0.95 | GAA (0.36) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Iodide SCHEMBL7628894 | 0.93 | IDO1 (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Bromide SCHEMBL3322091 | 0.93 | IDO1 (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Bromide SCHEMBL2445980 | 0.93 | IDO1 (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 | |
| Iodide SCHEMBL7629435 | 0.93 | IDO1 (0.38) | GAAL3MBTL1IDO1HIF1AALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0807657-B1 | PROCESS FOR PRODUCING POLYCARBONATE | IDEMITSU KOSAN CO (JP) | 2004-05-19 | — | — | EP | disclosed |
| CN-1077903-C | Process for the preparation of polycarbonates | IDEMITSU KOSAN CO (JP) | 2002-01-16 | — | — | CN | disclosed |
| US-5922826-A | TRANSESTERIFICATION IN PRESENCE OF A POLYMERIZATION CATALYST CONTAINING AN ORGANONITROGEN COMPOUND AND A QUATERNARY PHOSPHONIUM SALT TO PRODUCE POLYCARBONATE | IDEMITSU KOSAN CO., LTD. (JP) | 1999-07-13 | — | — | US | disclosed |
| CN-1172490-A | Process for the preparation of polycarbonates | IDEMITSU KOSAN CO (JP) | 1998-02-04 | — | — | CN | disclosed |
| EP-0807657-A1 | PROCESS FOR PRODUCING POLYCARBONATE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |