Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.61 |
| ▸ | HTR3B | O95264 | 3/20 | 0.61 |
| ▸ | HTR3A | P46098 | 3/20 | 0.61 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.61 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.61 |
| ▸ | LTA4H | P09960 | 4/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | HTR1D | P28221 | 1/20 | 0.48 |
| ▸ | HTR1B | P28222 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922709 | 0.84 | ADRB1 (0.56) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922312 | 0.83 | HRH3 (0.47) | HTR3AHTR1ANCF1 | |
| SCHEMBL5740819 | 0.80 | ADRB1 (0.67) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4515500 | 0.79 | ADRB1 (0.66) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL872363 | 0.78 | ADRB1 (0.65) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL15703247 | 0.78 | ADRB1 (0.64) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL23355832 | 0.77 | ADRB1 (0.63) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL22638136 | 0.77 | ADRB1 (0.63) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL234280 | 0.77 | ADRB1 (1.00) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2410870 | 0.77 | ADRB1 (1.00) | 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 |