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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 7/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 6/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.32 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM4A | O75164 | 1/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1560454 | 0.98 | TDP1 (0.42) | TDP1ACHEHDAC8MEN1APAF1 | |
| Water SCHEMBL1913462 | 0.95 | TDP1 (0.42) | TDP1ACHEHDAC8MEN1APAF1 | |
| SCHEMBL1560475 | 0.93 | TDP1 (0.43) | TDP1ACHEHDAC8MEN1APAF1 | |
| SCHEMBL13592764 | 0.83 | ACHE (0.40) | ACHEMEN1APAF1HSP90AA1MAPT | |
| SCHEMBL28687693 | 0.83 | KDM4E (0.41) | TDP1ACHEHDAC8KDM4E | |
| SCHEMBL29558431 | 0.83 | KDM4E (0.41) | TDP1ACHEHDAC8KDM4E | |
| SCHEMBL12223391 | 0.82 | TDP1 (0.42) | TDP1ACHEHDAC8MEN1APAF1 | |
| SCHEMBL21523389 | 0.82 | PABPC1 (0.49) | TDP1ACHEHDAC8MEN1APAF1 | |
| Betaine SCHEMBL953768 | 0.80 | TDP1 (0.36) | TDP1ACHEHDAC8PABPC1EIF4H | |
| SCHEMBL17751141 | 0.78 | HDAC8 (0.50) | ACHEHDAC8MEN1APAF1HSP90AA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532687-B1 | SEMIPERMEABLE COMPOSITE MEMBRANE | TNO (NL) | 1996-04-17 | — | — | EP | disclosed |
| US-5348652-A | Ampholytic polymer | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1994-09-20 | — | — | US | disclosed |
| EP-0532687-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE. | TNO (NL) | 1993-03-24 | — | — | EP | disclosed |
| WO-1991018666-A1 | SEMIPERMEABLE COMPOSITE MEMBRANE | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 1991-12-12 | — | — | WO | disclosed |