Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.55 |
| ▸ | HTR3B | O95264 | 3/20 | 0.55 |
| ▸ | HTR3A | P46098 | 3/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.55 |
| ▸ | LTA4H | P09960 | 4/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL9984913 | 0.86 | ADRB1 (0.60) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL382274 | 0.85 | ADRB1 (0.58) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922322 | 0.84 | ITGB3 (0.52) | ITGB3ITGA2BMEN1KMT2AFFAR1 | |
| Hydrochloric Acid SCHEMBL28044485 | 0.82 | ADRB1 (0.49) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7339171 | 0.82 | ITGB3 (0.72) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL14922710 | 0.82 | ADRB1 (0.59) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2155052 | 0.81 | ADRB1 (0.66) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL27331131 | 0.80 | ADRB1 (0.64) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL4324884 | 0.80 | ADRB1 (0.64) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8811069 | 0.78 | ADRB1 (0.62) | 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 1 patent. 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 |