Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 7/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 3/20 | 0.38 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922726 | 0.87 | CHRNB2 (0.51) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL4939296 | 0.79 | ADRB1 (0.61) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL11551319 | 0.78 | ADRB1 (0.60) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL24592792 | 0.76 | ADRB1 (0.45) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL17431869 | 0.76 | ALDH1A1 (0.43) | ADRB1CHRNB2CHRNA4 | |
| SCHEMBL8811069 | 0.73 | ADRB1 (0.62) | ADRB1CHRNB2CHRNA4HTR3EHTR3B | |
| SCHEMBL11544382 | 0.73 | ADRB1 (0.65) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4940896 | 0.73 | ADRB1 (0.53) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| SCHEMBL6416173 | 0.73 | ADRB1 (0.55) | ADRB1CHRM2CHRM4CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL20139467 | 0.71 | ADRB1 (0.53) | ADRB1CHRM2CHRM4CHRM1CHRM3 |
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 |