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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 10/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 2/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1560289 | 0.99 | HDAC8 (0.41) | HDAC8ACHENPC1POLBRAB9A | |
| Water SCHEMBL869251 | 0.96 | HDAC8 (0.41) | HDAC8ACHENPC1POLBRAB9A | |
| Water SCHEMBL29558803 | 0.96 | HDAC8 (0.41) | HDAC8ACHENPC1POLBRAB9A | |
| SCHEMBL29461432 | 0.94 | HDAC8 (0.42) | HDAC8ACHENPC1POLBRAB9A | |
| SCHEMBL150282 | 0.94 | HDAC8 (0.42) | HDAC8ACHENPC1POLBRAB9A | |
| SCHEMBL7057933 | 0.88 | HDAC8 (0.44) | HDAC8ACHEPOLBSMN1; SMN2 | |
| SCHEMBL12223395 | 0.84 | HDAC8 (0.41) | HDAC8ACHENPC1POLBRAB9A | |
| SCHEMBL21523380 | 0.84 | ALDH1A1 (0.44) | HDAC8ACHENPC1POLBRAB9A | |
| Betaine SCHEMBL133669 | 0.81 | HDAC8 (0.35) | HDAC8ACHE | |
| SCHEMBL17123054 | 0.79 | HDAC8 (0.46) | HDAC8ACHENPC1POLBRAB9A |
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 |