Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1029142 | 1.00 | ALDH1A1 (0.44) | ALDH1A1HSD11B1THRBMEN1KMT2A | |
| SCHEMBL17660060 | 0.97 | ALDH1A1 (0.41) | ALDH1A1HSD11B1THRBMEN1KMT2A | |
| SCHEMBL177030 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1027991 | 0.90 | ALDH1A1 (0.33) | ALDH1A1HSD11B1 | |
| SCHEMBL21746451 | 0.86 | — | — | |
| SCHEMBL9977971 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HSD11B1MEN1KMT2A | |
| SCHEMBL13068449 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HSD11B1MEN1KMT2A | |
| SCHEMBL21574872 | 0.78 | — | — | |
| SCHEMBL23585995 | 0.77 | ALDH1A1 (0.35) | ALDH1A1HSD11B1 | |
| SCHEMBL22699300 | 0.75 | CHRNA7 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3134411-B1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INT (DE) | 2021-06-30 | — | — | EP | disclosed |
| EP-2958919-B1 | DIHYDROPTERIDINONES I | BOEHRINGER INGELHEIM INT (DE) | 2019-05-22 | — | — | EP | disclosed |
| CN-102056894-A | Homocysteine synthase inhibitor | MITSUBISHI TANABE PHARMA CORP | 2011-05-11 | — | — | CN | disclosed |