Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13617872 | 0.78 | ALDH1A1 (0.62) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL47357 | 0.76 | CYP2A6 (0.54) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL14388670 | 0.76 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL23637785 | 0.74 | ALDH1A1 (0.64) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL6616203 | 0.73 | ALDH1A1 (0.61) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL20469211 | 0.73 | ALDH1A1 (0.50) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| SCHEMBL17521331 | 0.73 | ALDH1A1 (0.56) | ALDH1A1ALDH5A1ABATKDM4EPARP10 | |
| Formaldehyde SCHEMBL20477527 | 0.73 | CYP2A6 (0.61) | ALDH1A1ALDH5A1ABATKDM4ECYP2A6 | |
| SCHEMBL31171 | 0.72 | CYP2A6 (0.69) | ALDH1A1ALDH5A1ABATKDM4ECYP2A6 | |
| SCHEMBL4956384 | 0.72 | CYP2A6 (0.69) | ALDH1A1ALDH5A1ABATKDM4ECYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3019492-B1 | AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS | BOEHRINGER INGELHEIM INT (DE) | 2017-09-06 | — | — | EP | disclosed |