Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | RIOK2 | Q9BVS4 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922302 | 0.86 | HTR1A (0.50) | HSD11B1ADORA2AACACBTAAR1DRD2 | |
| SCHEMBL30345639 | 0.84 | HTR3A (0.64) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL14922741 | 0.84 | HTR3A (0.64) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1861752 | 0.83 | CHRNB2 (0.51) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL23855500 | 0.82 | CHRNB2 (0.50) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL14922250 | 0.82 | HTR3A (0.69) | CHRNB2CHRNA4HTR3EHTR3BHTR3A | |
| SCHEMBL8250571 | 0.82 | CHRNB2 (0.52) | CHRNB2CHRNA4HSD11B1HTR3EHTR3B | |
| SCHEMBL22638145 | 0.81 | CHRNB2 (0.53) | CHRNB2CHRNA4NCF1EPHX2 | |
| SCHEMBL3586261 | 0.81 | HRH3 (0.56) | DRD2 | |
| SCHEMBL8257048 | 0.81 | HTR3A (0.52) | CHRNB2CHRNA4HTR3EHTR3BHTR3A |
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 |