Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3549378 | 0.80 | KDM1A (0.42) | CHRNB2CHRNA4HTR2CHTR2AHTR2B | |
| SCHEMBL3666428 | 0.77 | TAAR1 (0.44) | HTR2CHTR2AHTR2BHTR6 | |
| SCHEMBL1616732 | 0.76 | KDM1A (0.38) | KDM1A | |
| SCHEMBL2088612 | 0.73 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4HTR2C | |
| SCHEMBL29904548 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 | |
| SCHEMBL1822160 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 | |
| SCHEMBL20438926 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 | |
| SCHEMBL4536065 | 0.70 | CHRNB2 (0.42) | CHRNB2CHRNB4CHRNA3CHRNA4HTR2C | |
| Hydrochloric Acid SCHEMBL29051178 | 0.70 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7 | |
| SCHEMBL20438980 | 0.70 | HTR2A (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2129220-A2 | ADENOSINE A2A RECEPTOR ANTAGONISTS | King Pharmaceuticals Research and Development Inc. (US) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008121748-A2 | ADENOSINE A2A RECEPTOR ANTAGONISTS | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT,INC. (US) | 2008-10-09 | — | — | WO | disclosed |