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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 11/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 SCHEMBL10948318 | 0.82 | MAPT (0.42) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| Water SCHEMBL10952583 | 0.81 | MAPT (0.57) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| Water SCHEMBL10949547 | 0.77 | MAPT (0.33) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| Water SCHEMBL1044054 | 0.76 | HSD17B10 (0.58) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| SCHEMBL12194169 | 0.75 | MAPT (0.54) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| SCHEMBL3191322 | 0.74 | HSD17B10 (0.59) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| SCHEMBL6556048 | 0.73 | HSD17B10 (0.58) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| SCHEMBL12201239 | 0.73 | HSD17B10 (0.58) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| Water SCHEMBL10947725 | 0.73 | MAPT (0.56) | MAPTHSD17B10CYP2D6TSHRKDM4E | |
| SCHEMBL4615373 | 0.72 | MAPT (0.64) | MAPTHSD17B10CYP2D6TSHRKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4524128-A | HEAT-BLEACHABLE CYANINE DYES, COLORLESS BACKGROUNDS | EASTMAN KODAK COMPANY (US) | 1985-06-18 | — | — | US | disclosed |