Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.59 |
| ▸ | AHCY | P23526 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | ADA | P00813 | 4/20 | 0.51 |
| ▸ | PDE2A | O00408 | 3/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8186713 | 1.00 | ADORA2A (0.59) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL1740528 | 0.85 | ADORA2A (0.66) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL16603993 | 0.82 | AHCY (0.85) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL8252223 | 0.81 | ADORA2A (0.75) | ADORA2ACYP3A4ADORA1ALDH1A1ADORA2B | |
| SCHEMBL8220260 | 0.80 | ADORA2A (0.59) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL8193948 | 0.80 | ADORA2A (0.59) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL8186532 | 0.80 | ADORA2A (0.59) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL8200336 | 0.80 | SLC29A1 (0.45) | CYP3A4 | |
| SCHEMBL13394190 | 0.80 | ADORA2A (0.72) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 | |
| SCHEMBL13394189 | 0.79 | ADORA2A (0.76) | ADORA2AAHCYCYP3A4ADORA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000059906-A1 | AMINOHETEROCYCLE-SUBSTITUTED GLYCEROLS | CLARION PHARMACEUTICALS, INC. (US) | 2000-10-12 | — | — | WO | disclosed |