Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Chlorthalidone. 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 | 7/20 | 0.91 |
| ▸ | CA2 | P00918 | 7/20 | 0.91 |
| ▸ | CA7 | P43166 | 3/20 | 0.91 |
| ▸ | CA12 | O43570 | 2/20 | 0.91 |
| ▸ | CA3 | P07451 | 2/20 | 0.91 |
| ▸ | CA4 | P22748 | 2/20 | 0.91 |
| ▸ | CA6 | P23280 | 2/20 | 0.91 |
| ▸ | CA5A | P35218 | 2/20 | 0.91 |
| ▸ | CA9 | Q16790 | 2/20 | 0.91 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.91 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.91 |
| ▸ | MAPT | P10636 | 1/20 | 0.91 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Chlorthalidone SCHEMBL26234 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| (R)-Chlorthalidone SCHEMBL827454 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| (R)-Chlorthalidone SCHEMBL30872862 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL4425734 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL29687442 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL164949 | 0.95 | CA1 (1.00) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL28520875 | 0.94 | CA1 (0.98) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL29127388 | 0.89 | CA1 (0.84) | CA1CA2CA7CA12CA3 | |
| Chlorthalidone SCHEMBL28297372 | 0.84 | CA1 (0.73) | CA1CA2CA7CA12CA3 | |
| SCHEMBL11929009 | 0.83 | MAPT (0.73) | CA1CA2CA7CA12CA3 |
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-4933360-A | DISSOLVING IN A SOLUTION OF POLYVINYL PYRROLIDONE IN AN ALKANOL, EVAPORATING ALKANOL | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1990-06-12 | — | — | US | disclosed |
| EP-0125420-B1 | WATER SOLUBLE DISPERSIONS OF CHLORTHALIDONE AND PROCESS FOR PREPARING THEM | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1987-11-25 | — | — | EP | disclosed |
| EP-0125420-A2 | Water soluble dispersions of chlorthalidone and process for preparing them | Boehringer Ingelheim Pharmaceuticals Inc. (US) | 1984-11-21 | — | — | EP | disclosed |