Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 9/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8566515 | 1.00 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4886449 | 0.81 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8569341 | 0.78 | NAMPT (0.41) | NAMPT | |
| SCHEMBL8569337 | 0.78 | NAMPT (0.41) | NAMPT | |
| SCHEMBL9134643 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8566519 | 0.73 | IDO1 (0.36) | CA2CYP4F2CYP4A11 | |
| SCHEMBL10384856 | 0.73 | NAMPT (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6NAMPT | |
| SCHEMBL9777875 | 0.73 | NAMPT (0.52) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6NAMPT | |
| SCHEMBL11304946 | 0.72 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11304948 | 0.72 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |