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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27569486 | 0.74 | TP53 (0.48) | TP53HPGDCALM1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL9780971 | 0.73 | CYP3A4 (0.36) | TP53HPGDCALM1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27744620 | 0.72 | TP53 (0.46) | TP53HPGDCALM1MEN1KMT2A | |
| Water SCHEMBL27535675 | 0.72 | TP53 (0.46) | TP53HPGDCALM1TSHRALDH1A1 | |
| Iodide SCHEMBL27691445 | 0.72 | TP53 (0.46) | TP53HPGDCALM1TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL28205666 | 0.71 | ALDH1A1 (0.41) | TP53HPGDCALM1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1985376 | 0.71 | HPGD (0.40) | TP53HPGDCALM1MEN1KMT2A | |
| SCHEMBL19966102 | 0.70 | TP53 (0.43) | TP53HPGDCALM1TSHRALDH1A1 | |
| SCHEMBL25617027 | 0.70 | TP53 (0.43) | TP53HPGDCALM1TSHRALDH1A1 | |
| SCHEMBL8890450 | 0.70 | HPGD (0.54) | TP53HPGDCALM1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7339021-B2 | Method for preparing polycarbonate resin | LG CHEM, LTD. (KR) | 2008-03-04 | — | — | US | disclosed |
| EP-1546233-B1 | METHOD FOR PREPARING POLYCARBONATE RESIN | LG CHEMICAL LTD (KR) | 2007-08-08 | — | — | EP | disclosed |
| US-20060122359-A1 | Method for preparing polycarbonate resin | LG CHEM, LTD. (KR) | 2006-06-08 | — | — | US | disclosed |
| EP-1546233-A1 | METHOD FOR PREPARING POLYCARBONATE RESIN | LG Chem, Ltd. (KR) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004031259-A1 | METHOD FOR PREPARING POLYCARBONATE RESIN | LG CHEM, LTD. (KR) | 2004-04-15 | — | — | WO | disclosed |