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 | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | CHAT | P28329 | 1/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | MPL | P40238 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8301266 | 0.98 | MYC (0.40) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| Hydrochloric Acid SCHEMBL3424872 | 0.96 | MYC (0.39) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| SCHEMBL28206790 | 0.90 | MYC (0.36) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| SCHEMBL9094990 | 0.77 | PKLR (0.34) | PGAM1GAACA1CA2CA4 | |
| SCHEMBL2618027 | 0.75 | TTR (0.46) | TTRCYP1A2MPLNSD2ALDH1A1 | |
| Nitrogen SCHEMBL28287047 | 0.74 | TSHR (0.50) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| SCHEMBL29664068 | 0.74 | TSHR (0.55) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| SCHEMBL150335 | 0.74 | TSHR (0.55) | MYCTSHRSMN1; SMN2TTRFABP4 | |
| Hydrochloric Acid SCHEMBL3422416 | 0.73 | COMT (0.46) | TTRCYP1A2POLBMPLNSD2 | |
| SCHEMBL2618019 | 0.72 | ALDH1A1 (0.40) | TSHRSMN1; SMN2TDP1SNCAKDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1104944-C | Compositions and insulation bodies having low thermal conductivity | CABOT CORP (US) | 2003-04-09 | — | — | CN | disclosed |
| EP-0973604-A1 | PROCESS FOR PRODUCING LOW DENSITY GEL COMPOSITIONS | CABOT CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| CN-1238713-A | Composition and insulation with low thermal conductivity | CABOT CORP (US) | 1999-12-15 | — | — | CN | disclosed |
| WO-1998045035-A1 | PROCESS FOR PRODUCING LOW DENSITY GEL COMPOSITIONS | CABOT CORPORATION (US) | 1998-10-15 | — | — | WO | disclosed |
| EP-0799281-A1 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORPORATION (US) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996018688-A1 | CARBON BLACK REACTED WITH DIAZONIUM SALTS AND PRODUCTS | CABOT CORPORATION (US) | 1996-06-20 | — | — | WO | disclosed |