Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.55 |
| ▸ | HTR3B | O95264 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 3/20 | 0.49 |
| ▸ | LSS | P48449 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922260 | 0.93 | ADRB1 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL23855530 | 0.91 | ADRB1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8551038 | 0.84 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922327 | 0.84 | HRH3 (0.59) | HRH3KDM4EALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL13437933 | 0.83 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL11498486 | 0.82 | ADRB1 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8811069 | 0.81 | ADRB1 (0.62) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30020652 | 0.81 | ADRB1 (0.57) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6132814 | 0.81 | ADRB1 (0.61) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7331350 | 0.81 | ADRB1 (0.57) | 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 |