Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7667529 | 0.84 | ADORA2A (0.38) | ADORA2AADORA1PDE5A | |
| SCHEMBL7002349 | 0.71 | ADORA2B (0.38) | ADORA2AADORA1 | |
| SCHEMBL7760161 | 0.63 | ADORA3 (0.50) | ALDH1A1HTTADORA2AADORA1MAPK1 | |
| SCHEMBL23235098 | 0.58 | SIGMAR1 (0.60) | HTTCYP2C9HSD17B10 | |
| SCHEMBL8348067 | 0.55 | GAA (0.55) | ALDH1A1GAAMAPK1HSD17B10TSHR | |
| SCHEMBL4024799 | 0.55 | HRH3 (0.71) | ALDH1A1HTTCYP2C9HSD17B10LMNA | |
| SCHEMBL5321100 | 0.54 | ATM (0.58) | ALDH1A1HTTMAPK1TSHR | |
| SCHEMBL25217971 | 0.54 | RXFP1 (0.63) | RXFP1ALDH1A1CYP3A4CYP2C9GAA | |
| SCHEMBL27550438 | 0.53 | CYP2D6 (0.57) | ALDH1A1HTTCYP3A4CYP2C9LMNA | |
| SCHEMBL8563151 | 0.53 | SIGMAR1 (0.42) | ALDH1A1CYP3A4CYP2C9MAPK1HSD17B10 |
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-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |