Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3
The experimentally established mechanism targets of Cyclopenthiazide. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.69 |
| ▸ | LMNA | P02545 | 4/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Cyclopenthiazide SCHEMBL49142 | 0.83 | LMNA (1.00) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL30561852 | 0.83 | LMNA (1.00) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| SCHEMBL29132641 | 0.82 | LMNA (0.98) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| SCHEMBL30561876 | 0.82 | LMNA (0.98) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL9505656 | 0.81 | LMNA (0.96) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL13723122 | 0.78 | LMNA (0.85) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL28279853 | 0.75 | LMNA (0.66) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL28832656 | 0.74 | LMNA (0.76) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| Cyclopenthiazide SCHEMBL28142871 | 0.74 | LMNA (0.76) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 | |
| SCHEMBL17471640 | 0.73 | LMNA (0.72) | LMNACYP2C9ADRA2BALDH1A1CYP1A2 |
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-2203192-A1 | WOUND CARE FORMULATION | Northern Health And Social Care Trust (GB) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009037500-A1 | WOUND CARE FORMULATION | NORTHERN HEALTH AND SOCIAL CARE TRUST (GB) | 2009-03-26 | — | — | WO | disclosed |