Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.72 |
| ▸ | LMNA | P02545 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | CA2 | P00918 | 1/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.72 |
| ▸ | TSHR | P16473 | 1/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13823288 | 0.89 | ALDH1A1 (0.76) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL26016 | 0.84 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL44537 | 0.84 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL4427489 | 0.84 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL3359694 | 0.84 | ALDH1A1 (1.00) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumetazide SCHEMBL29742733 | 0.79 | ALDH1A1 (0.86) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL28086384 | 0.78 | LMNA (0.85) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| SCHEMBL19167246 | 0.78 | ALDH1A1 (0.73) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| SCHEMBL28058640 | 0.75 | ALDH1A1 (0.64) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 | |
| Bendroflumethiazide SCHEMBL16222867 | 0.74 | ALDH1A1 (0.73) | ALDH1A1LMNAKDM4ECYP3A4CYP1A2 |
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-7544711-B2 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2009-06-09 | — | — | US | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |