Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 4/20 | 0.57 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.57 |
| ▸ | HTR3B | O95264 | 2/20 | 0.57 |
| ▸ | HTR3A | P46098 | 2/20 | 0.57 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.57 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.51 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.51 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12814351 | 0.86 | ITGB3 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922325 | 0.83 | MEN1 (0.55) | MAPK1TSHRHSD17B10ITGB3ITGA2B | |
| SCHEMBL12814058 | 0.83 | NPSR1 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL12814057 | 0.82 | NPSR1 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7366682 | 0.82 | ADRB1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8325106 | 0.80 | ITGB3 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4543250 | 0.80 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8662762 | 0.79 | ITGB3 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8662766 | 0.79 | ITGB3 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2155052 | 0.79 | ADRB1 (0.66) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |