Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.53 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.53 |
| ▸ | CDC25A | P30304 | 10/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14560467 | 0.98 | CDC25A (0.54) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL29644731 | 0.98 | CDC25A (0.54) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| Benzene SCHEMBL28080829 | 0.95 | LCK (0.53) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL14560461 | 0.95 | LCK (0.53) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL28204384 | 0.89 | KDM4E (0.48) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL29644739 | 0.89 | LCK (0.57) | LCKNR1H2NR1H3 | |
| SCHEMBL14560460 | 0.87 | NR1H2 (0.51) | ALDH1A1LCKNR1H2NR1H3 | |
| SCHEMBL14560470 | 0.85 | LCK (0.49) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL14560534 | 0.84 | CDC25A (0.54) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 | |
| SCHEMBL14560458 | 0.83 | NPC1 (0.46) | ALDH1A1ALDH2ALDH3A1CDC25ACES1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7192967-B1 | Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents | ASTELLAS PHARMA GMBH (DE) | 2007-03-20 | — | — | US | disclosed |