Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 5/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | RORA | P35398 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14347413 | 0.88 | NPY1R (0.41) | CNR2CNR1ACHE | |
| SCHEMBL14374217 | 0.81 | ALDH1A1 (0.48) | ALDH1A1NPSR1KDM4EHSD17B10PDE4A | |
| SCHEMBL14347299 | 0.77 | ALDH1A1 (0.40) | ALDH1A1KDM4EHSD17B10NPC1RORA | |
| SCHEMBL11866166 | 0.77 | ALDH1A1 (0.46) | ALDH1A1NPSR1KDM4EHSD17B10PDE4A | |
| SCHEMBL11867757 | 0.76 | PTGER4 (0.43) | ALDH1A1NPSR1KDM4EHSD17B10ABCC1 | |
| SCHEMBL14347437 | 0.76 | ABCB1 (0.51) | CNR2LMNA | |
| SCHEMBL14347564 | 0.75 | NPY1R (0.45) | ALDH1A1KDM4E | |
| SCHEMBL12216223 | 0.75 | DHFR (0.61) | ALDH1A1NPSR1KDM4EHSD17B10PDE4A | |
| SCHEMBL14347514 | 0.75 | RORA (0.40) | ALDH1A1KDM4ERORARORCRORB | |
| SCHEMBL14347331 | 0.75 | TSHR (0.47) | ALDH1A1NPSR1KDM4EHSD17B10LMNA |
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-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |