Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15900287 | 0.99 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL14721914 | 0.89 | NUDT1 (0.31) | — | |
| SCHEMBL7168223 | 0.82 | HTR2A (0.30) | — | |
| SCHEMBL15559609 | 0.77 | CDK1 (0.37) | ALDH1A1 | |
| SCHEMBL4913656 | 0.71 | HRH1 (0.44) | ALDH1A1 | |
| SCHEMBL5495047 | 0.70 | SLC6A9 (0.34) | — | |
| SCHEMBL14722203 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL14697569 | 0.67 | — | — | |
| SCHEMBL14706998 | 0.60 | HTR2A (0.60) | — | |
| Hydrochloric Acid SCHEMBL7845930 | 0.60 | HTR2A (0.57) | ALDH1A1 |
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-2744808-A2 | TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS | Mount Sinai School of Medicine (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013025882-A2 | TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS | MT. SINAI SCHOOL OF MEDICINE (US) | 2013-02-21 | — | — | WO | disclosed |