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 | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 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 SCHEMBL11776468 | 0.88 | BCHE (0.57) | BCHEACHETDP1MAPTL3MBTL1 | |
| SCHEMBL5456918 | 0.85 | HDAC1 (0.52) | CA1CA2TDP1MAPTL3MBTL1 | |
| SCHEMBL13804234 | 0.82 | ACHE (0.51) | BCHEACHECHRM1ALDH1A1CHRM2 | |
| SCHEMBL14984037 | 0.82 | TDP1 (0.58) | BCHECA1CA2TDP1MAPT | |
| SCHEMBL30030715 | 0.80 | CA1 (0.41) | BCHEACHECA1CA2TDP1 | |
| SCHEMBL5144211 | 0.80 | ESR1 (0.66) | BCHEACHECA1CA2TDP1 | |
| Ethylene Glycol SCHEMBL21074267 | 0.80 | CA1 (0.48) | CA1CA2TDP1MAPTL3MBTL1 | |
| SCHEMBL21074268 | 0.80 | CA1 (0.48) | BCHECA1CA2TDP1MAPT | |
| SCHEMBL21672265 | 0.80 | ALDH1A1 (0.66) | CA1CA2TDP1MAPTL3MBTL1 | |
| Water SCHEMBL16320769 | 0.80 | LMNA (0.62) | BCHEACHETDP1CHRM1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9057959-B2 | Developer for photosensitive resist material and patterning process | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2015-06-16 | — | — | US | disclosed |
| US-20140377706-A1 | DEVELOPER FOR PHOTOSENSITIVE RESIST MATERIAL AND PATTERNING PROCESS | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2014-12-25 | — | — | US | disclosed |