Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chlorothiazide. 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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.40 |
| ▸ | CA6 | P23280 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 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 | |
|---|---|---|---|---|
| Chlorothiazide SCHEMBL26200 | 0.89 | CA1 (0.51) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL3966861 | 0.89 | CA1 (0.51) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL30594143 | 0.89 | CA1 (0.51) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL29227709 | 0.88 | CA1 (0.50) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL28312721 | 0.88 | CA1 (0.50) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL29040938 | 0.88 | CA1 (0.50) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL119091 | 0.88 | CA1 (0.50) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL15873828 | 0.86 | CA1 (0.49) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL2548527 | 0.84 | CA1 (0.47) | CA1LMNACA2CYP2C9THRB | |
| Chlorothiazide SCHEMBL28684331 | 0.82 | CA1 (0.45) | CA1LMNACA2CYP2C9THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2494075-A2 | TEMPLATED NANOCONJUGATES | Northwestern University (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011053940-A2 | TEMPLATED NANOCONJUGATES | NORTHWESTERN UNIVERSITY (US) | 2011-05-05 | — | — | WO | disclosed |