Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bendroflumethiazide. 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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.85 |
| ▸ | CA2 | P00918 | 5/20 | 0.85 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.85 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.85 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.85 |
| ▸ | TSHR | P16473 | 1/20 | 0.85 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.85 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Bendroflumethiazide SCHEMBL4427489 | 0.92 | ALDH1A1 (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Bendroflumethiazide SCHEMBL44537 | 0.92 | ALDH1A1 (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Bendroflumethiazide SCHEMBL3359694 | 0.92 | ALDH1A1 (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Bendroflumethiazide SCHEMBL26016 | 0.92 | ALDH1A1 (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Bendroflumetazide SCHEMBL29742733 | 0.86 | ALDH1A1 (0.86) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Hydroflumethiazide SCHEMBL1355981 | 0.82 | TDP1 (0.68) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Hydroflumethiazide SCHEMBL9614518 | 0.82 | LMNA (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Hydroflumethiazide SCHEMBL27028 | 0.82 | LMNA (1.00) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Hydroflumethiazide SCHEMBL11361394 | 0.81 | LMNA (0.97) | LMNAALDH1A1CA2KDM4ECYP3A4 | |
| Bendroflumethiazide SCHEMBL16222867 | 0.81 | ALDH1A1 (0.73) | LMNAALDH1A1CA2KDM4ECYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |