Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzthiazide. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 1/20 | 0.62 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.62 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 12/20 | 0.41 |
| ▸ | CA2 | P00918 | 11/20 | 0.41 |
| ▸ | CA12 | O43570 | 10/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzthiazide SCHEMBL26257 | 0.99 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL345215 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL7102453 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL6546528 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL9517821 | 0.98 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL1276519 | 0.96 | ALDH1A1 (0.60) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL23860715 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL386685 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL386952 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 | |
| Benzthiazide SCHEMBL2376967 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6620598-B2 | Generating preferentialy adjusted amino acid; obtain microorganisms, propagate, recover preferential amino acid | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) | 2003-09-16 | — | — | US | disclosed |
| US-20020146783-A1 | Process for preparing O-acetyl-L serine by fermentation | CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH | 2002-10-10 | — | — | US | disclosed |