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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.43 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.42 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.41 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6242456 | 0.99 | CASP2 (0.47) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL6238035 | 0.99 | CASP2 (0.47) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL6239701 | 0.99 | CASP2 (0.47) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL6237088 | 0.99 | CASP2 (0.47) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL28221623 | 0.96 | CASP2 (0.47) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL18655676 | 0.95 | CASP2 (0.48) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL15057406 | 0.93 | FAAH (0.44) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL15057437 | 0.93 | FAAH (0.44) | CASP2FAAHNAAADNM1ALDH1A1 | |
| SCHEMBL25548108 | 0.92 | EPHX2 (0.55) | ALDH1A1EPHX2SLC6A5 | |
| Betaine SCHEMBL6289640 | 0.91 | EPHX2 (0.43) | CASP2FAAHNAAADNM1ALDH1A1 |
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-0756633-B1 | METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA | INTEGRATED RES TECHNOLOGY LLC (US) | 2005-06-08 | — | — | EP | claimed |
| EP-0756633-B1 | METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA | INTEGRATED RES TECHNOLOGY LLC (US) | 2005-06-08 | — | — | EP | disclosed |
| CN-1125880-C | Method for processing mycobacteria | INTEGRATED RES TECH PLC (US) | 2003-10-29 | — | — | CN | disclosed |
| CN-1150460-A | Method for processing mycobacteria | CORNING CLINICAL LAB INC (US) | 1997-05-21 | — | — | CN | disclosed |