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 | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 SCHEMBL16340898 | 0.84 | GAA (0.43) | SRCCES1KMT2AMAPTTDP1 | |
| SCHEMBL4556750 | 0.84 | CES1 (0.50) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL10943300 | 0.77 | CES2 (0.56) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL10941976 | 0.77 | ALDH1A1 (0.52) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL6692640 | 0.75 | GAA (0.48) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL6698931 | 0.73 | GAA (0.54) | SRCCES1KMT2AMAPTTDP1 | |
| SCHEMBL31506638 | 0.73 | ALDH1A1 (0.45) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL10458191 | 0.73 | GAA (0.53) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL195379 | 0.72 | CES1 (0.50) | SRCCES1KMT2AHPGDMEN1 | |
| SCHEMBL6927987 | 0.72 | GAA (0.52) | CES1CES2GAA |
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 |