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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Water SCHEMBL721299 | 1.00 | — | — | |
| Water SCHEMBL10180755 | 0.82 | — | — | |
| Water SCHEMBL17393504 | 0.82 | — | — | |
| SCHEMBL29450695 | 0.71 | — | — | |
| SCHEMBL28835119 | 0.71 | — | — | |
| SCHEMBL29754791 | 0.71 | — | — | |
| Water SCHEMBL27876469 | 0.71 | — | — | |
| SCHEMBL798394 | 0.71 | — | — | |
| SCHEMBL8840579 | 0.71 | — | — | |
| Water SCHEMBL23501481 | 0.50 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802416-B2 | Thermostable organic solvent tolerant protease from gram-positive bacteria | UNIVERSITI PUTRA MALAYSIA (MY) | 2014-08-12 | — | — | US | disclosed |
| US-20110097784-A1 | THERMOSTABLE ORGANIC SOLVENT TOLERANT PROTEASE FROM GRAM-POSITIVE BACTERIA | UNIVERSITI PUTRA MALAYSIA | 2011-04-28 | — | — | US | disclosed |
| US-3989504-A | Herbicidal composition of 3,4-dihydro-2H-pyrane-2,4-diones and methods | NIPPON SODA COMPANY LIMITED (JA) | 1976-11-02 | — | — | US | disclosed |