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 | 6/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2004920 | 0.99 | MAPT (0.42) | MAPTTHRBRECQLALDH1A1HPGD | |
| Betaine SCHEMBL5676650 | 0.89 | CYP2D6 (0.36) | MAPTTHRBRECQLALDH1A1HPGD | |
| SCHEMBL7250099 | 0.87 | MAPT (0.56) | MAPTTHRBRECQLALDH1A1HPGD | |
| Water SCHEMBL10949547 | 0.80 | MAPT (0.33) | MAPTTHRBRECQLALDH1A1KDM4E | |
| SCHEMBL13646792 | 0.79 | MAPT (0.41) | MAPTTHRBRECQLALDH1A1HPGD | |
| Water SCHEMBL1044054 | 0.77 | HSD17B10 (0.58) | MAPTTHRBRECQLALDH1A1HPGD | |
| SCHEMBL3191322 | 0.76 | HSD17B10 (0.59) | MAPTTHRBRECQLALDH1A1HPGD | |
| SCHEMBL4830357 | 0.75 | KDM4E (0.55) | MAPTALDH1A1KDM4EPOLBHSD17B10 | |
| SCHEMBL12376758 | 0.74 | ITGB2 (0.33) | MAPTHPGDITGB2ITGAM | |
| Water SCHEMBL10890728 | 0.72 | MAPT (0.46) | MAPTHPGDKDM4EPOLBCYP2D6 |
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-5439786-A | Negative-working emulsions comprising monodispersed, non-twinned, non-tabular silver halide crystals having a core and a shell | INTERNATIONAL PAPER COMPANY (US) | 1995-08-08 | — | — | US | disclosed |