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 | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 6/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11576793 | 0.92 | APP (0.39) | APPALDH1A1TSHRTDP1ALOX12 | |
| Bromide SCHEMBL11573800 | 0.92 | APP (0.39) | APPALDH1A1TSHRTDP1ALOX12 | |
| Hydrochloric Acid SCHEMBL3127798 | 0.92 | APP (0.39) | APPALDH1A1TSHRTDP1ALOX12 | |
| Fluoride Ion SCHEMBL7529778 | 0.92 | ALDH1A1 (0.39) | APPALDH1A1TSHRTDP1ALOX12 | |
| SCHEMBL3127824 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRTDP1ALOX12LMNA | |
| Acetic Acid SCHEMBL17892007 | 0.74 | HSD17B10 (0.44) | ALDH1A1TSHRTDP1CA1CA2 | |
| Trichloroacetic Acid SCHEMBL23088971 | 0.69 | CYP1A2 (0.40) | ALDH1A1TSHRCA2GLACA4 | |
| SCHEMBL29901254 | 0.58 | — | — | |
| SCHEMBL644381 | 0.58 | — | — | |
| Biphenyl SCHEMBL27498009 | 0.58 | ALDH1A1 (0.82) | ALDH1A1TDP1CA1CA2LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8821906-B2 | Biocompatible polymer | GAMBRO LUNDIA AB (SE) | 2014-09-02 | — | — | US | claimed |
| EP-1626750-B1 | BIOCOMPATIBLE POLYMER | GAMBRO LUNDIA AB (SE) | 2010-07-21 | — | — | EP | claimed |
| US-20060275368-A1 | Biocompatible polymer | GAMBRO LUNDIA AB | 2006-12-07 | — | — | US | claimed |
| JP-2006522172-A | — | — | 2006-09-28 | — | — | JP | claimed |
| EP-1626750-A1 | BIOCOMPATIBLE POLYMER | Gambro Lundia AB (SE) | 2006-02-22 | — | — | EP | claimed |
| WO-2004103425-A1 | BIOCOMPATIBLE POLYMER | GAMBRO LUNDIA AB (SE) | 2004-12-02 | — | — | WO | claimed |
| US-8821906-B2 | Biocompatible polymer | GAMBRO LUNDIA AB (SE) | 2014-09-02 | — | — | US | disclosed |
| EP-1626750-B1 | BIOCOMPATIBLE POLYMER | GAMBRO LUNDIA AB (SE) | 2010-07-21 | — | — | EP | disclosed |
| US-20060275368-A1 | Biocompatible polymer | GAMBRO LUNDIA AB | 2006-12-07 | — | — | US | disclosed |
| EP-1626750-A1 | BIOCOMPATIBLE POLYMER | Gambro Lundia AB (SE) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004103425-A1 | BIOCOMPATIBLE POLYMER | GAMBRO LUNDIA AB (SE) | 2004-12-02 | — | — | WO | disclosed |