Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.36 |
| ▸ | GSR | P00390 | 6/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6439317 | 0.80 | BCHE (0.38) | ALDH1A1KDM4EBCHEATMTLR4 | |
| SCHEMBL6439306 | 0.80 | BCHE (0.38) | ALDH1A1KDM4EBCHEATMTLR4 | |
| SCHEMBL9125702 | 0.77 | ALDH1A1 (0.38) | ALDH1A1BCHE | |
| SCHEMBL9129023 | 0.77 | ALDH1A1 (0.35) | ALDH1A1BCHE | |
| SCHEMBL8749450 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EATMTLR4EPHX1 | |
| SCHEMBL8749397 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EATMTLR4EPHX1 | |
| SCHEMBL9019560 | 0.76 | ADH1B (0.50) | BCHEGSRCA2 | |
| SCHEMBL283971 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMTLR4EPHX1 | |
| SCHEMBL283829 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMTLR4EPHX1 | |
| SCHEMBL8957355 | 0.75 | GSR (0.43) | ALDH1A1GSRCA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0515420-B1 | NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES | BOEHRINGER MANNHEIM GMBH (DE) | 1996-06-12 | — | — | EP | disclosed |
| US-5411989-A | Cardiovascular disorders | BOEHRINGER MANNHEIM, GMBH (DE) | 1995-05-02 | — | — | US | disclosed |