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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15830120 | 0.99 | THRB (0.46) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL140337 | 0.92 | TSHR (0.41) | THRBTSHRPOLBAPEX1HTT | |
| Hydrochloric Acid SCHEMBL19858647 | 0.90 | TSHR (0.42) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL165948 | 0.90 | TSHR (0.42) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL28062403 | 0.89 | TSHR (0.40) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL15393133 | 0.89 | TSHR (0.45) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL22773559 | 0.89 | TSHR (0.41) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL15392730 | 0.88 | TSHR (0.41) | THRBTSHRPOLBAPEX1HTT | |
| Water SCHEMBL15393059 | 0.88 | TSHR (0.47) | THRBTSHRPOLBAPEX1HTT | |
| SCHEMBL17108955 | 0.88 | TSHR (0.46) | THRBTSHRPOLBAPEX1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6203451-B1 | A COEFFICIENT OF RESTITUTION OF >0.7 AND A COMPRESSION OF >50 WHEREIN AT LEAST ONE OF THE COVER AND THE CORE IS FORMED OF AN ION-CONTAINING POLYMER OF AN IONENE POLYMER AND/OR A ZWITTERION-CONTAINING POLYMER; HIGH INITIAL VELOCITY; FEEL | ACUSHNET COMPANY | 2001-03-20 | — | — | US | disclosed |
| WO-2000041773-A1 | ZWITTER-ION AND IONENE GOLF BALL FORMING COMPOSITIONS AND METHODS | ACUSHNET COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |