Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 9/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.53 |
| ▸ | HTR3B | O95264 | 4/20 | 0.53 |
| ▸ | HTR3A | P46098 | 4/20 | 0.53 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.53 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL656889 | 0.85 | ADRB1 (0.62) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL18012470 | 0.81 | ADRB1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL21384917 | 0.81 | ADRB1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL28295694 | 0.81 | ADRB1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL13092434 | 0.80 | ACVR1 (0.45) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL5332118 | 0.80 | ALDH1A1 (0.54) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL6260125 | 0.80 | ADRB1 (0.58) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL5570604 | 0.79 | ADRB1 (0.77) | ADRB1SIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL8546835 | 0.79 | ALDH1A1 (0.52) | ALDH1A1USP2HSD17B10KDM4ELMNA | |
| SCHEMBL20354340 | 0.79 | ALDH1A1 (0.55) | SIGMAR1HTR3AALDH1A1KDM4ELMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7709492-B2 | Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists | SCHERING CORPORATION (US) | 2010-05-04 | — | — | US | disclosed |
| US-7709492-B2 | Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists | SCHERING CORPORATION (US) | 2010-05-04 | — | — | US | disclosed |