Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC15A2 | Q16348 | 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 | |
|---|---|---|---|---|
| SCHEMBL8876980 | 0.79 | MEN1 (0.30) | — | |
| SCHEMBL12886414 | 0.72 | — | — | |
| SCHEMBL5645134 | 0.71 | ALDH1A1 (0.33) | ALDH1A1LMNA | |
| SCHEMBL1963806 | 0.69 | — | — | |
| SCHEMBL17446963 | 0.68 | ALDH1A1 (0.35) | ALDH1A1LMNASLC15A2 | |
| Acetonitrile SCHEMBL10535360 | 0.67 | ALDH1A1 (0.67) | ALDH1A1LMNASLC15A2 | |
| SCHEMBL27708395 | 0.67 | TP53 (0.35) | — | |
| SCHEMBL642970 | 0.66 | — | — | |
| SCHEMBL14671534 | 0.66 | — | — | |
| SCHEMBL14904444 | 0.66 | — | — |
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-5639780-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1997-06-17 | — | — | US | disclosed |
| WO-1996037467-A1 | N-BENZYLINDOL-3-YL BUTANOIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | disclosed |