Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19167246 | 0.81 | ALDH1A1 (0.73) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL4427489 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL44537 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| SCHEMBL28147102 | 0.78 | KDM4E (0.40) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL26016 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL3359694 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| SCHEMBL13823288 | 0.78 | ALDH1A1 (0.76) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| SCHEMBL13815372 | 0.75 | ALDH1A1 (0.72) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumetazide SCHEMBL29742733 | 0.73 | ALDH1A1 (0.86) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL28086384 | 0.72 | LMNA (0.85) | ALDH1A1KDM4ELMNACYP3A4CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105796570-A | Drug composition of bendroflumethiazide and liver cancer treatment effect thereof | 李晨露 | 2016-07-27 | — | — | CN | disclosed |