Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Butylamine SCHEMBL28050712 | 0.86 | DNTT (0.36) | — | |
| SCHEMBL27258058 | 0.84 | — | — | |
| SCHEMBL27491016 | 0.81 | NFKB1 (0.33) | ALDH1A1 | |
| Hydrazine SCHEMBL28030851 | 0.79 | NFKB1 (0.32) | ALDH1A1 | |
| SCHEMBL28843521 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL239044 | 0.77 | — | — | |
| SCHEMBL9868040 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5751359 | 0.76 | — | — | |
| SCHEMBL7929530 | 0.76 | DNTT (0.37) | ALDH1A1 | |
| Water SCHEMBL27822730 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101558049-B | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG | 2012-08-15 | — | — | CN | disclosed |
| CN-101175724-B | pyrrolidine derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-12-07 | — | — | CN | disclosed |
| CN-101558049-A | Substituted pyrazole and triazole compounds as KSP inhibitors | NOVARTIS AG (CH) | 2009-10-14 | — | — | CN | disclosed |
| EP-2013211-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | Novartis AG (CH) | 2009-01-14 | — | — | EP | disclosed |
| CN-101175724-A | Pyrrolidine derivative or salt thereof | ASTELLAS PHARMA INC (JP) | 2008-05-07 | — | — | CN | disclosed |
| WO-2007121920-A2 | PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS | NOVARTIS AG (CH) | 2007-11-01 | — | — | WO | disclosed |