Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | ADA | P00813 | 4/20 | 0.58 |
| ▸ | PDE2A | O00408 | 3/20 | 0.58 |
| ▸ | PDE4A | P27815 | 1/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.58 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL1740528 | 0.84 | ADORA2A (0.66) | CYP3A4CYP2D6ADORA2AADORA1ADA | |
| SCHEMBL28977842 | 0.81 | CYP3A4 (0.60) | CYP3A4CYP2D6ADAPDE2APDE4A | |
| SCHEMBL29211972 | 0.80 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADAPDE2A | |
| SCHEMBL28900522 | 0.80 | CYP3A4 (0.69) | CYP3A4CYP2D6 | |
| SCHEMBL28900524 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2A | |
| SCHEMBL23397843 | 0.79 | CYP3A4 (0.76) | CYP3A4CYP2D6 | |
| SCHEMBL29287914 | 0.78 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ADA | |
| SCHEMBL29211975 | 0.78 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ADA | |
| SCHEMBL23425534 | 0.78 | CYP3A4 (0.78) | CYP3A4CYP2D6 | |
| SCHEMBL28977844 | 0.78 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2AADORA1ADA |
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 |