Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 2/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19295490 | 0.86 | SLC6A4 (0.43) | ERBB2SLC6A4HTR2AKCNH2ADRA1A | |
| SCHEMBL8865831 | 0.84 | SLC6A4 (0.42) | SLC6A4HTR2AKCNH2ADRA1ATAAR1 | |
| SCHEMBL12523559 | 0.84 | TAAR1 (0.53) | SLC6A4HTR2AKCNH2ADRA1ATAAR1 | |
| SCHEMBL23575258 | 0.83 | ESR1 (0.47) | ADRA1ATAAR1MTNR1AMTNR1BESR1 | |
| SCHEMBL30250416 | 0.83 | ESR1 (0.47) | ADRA1ATAAR1MTNR1AMTNR1BESR1 | |
| SCHEMBL3761927 | 0.81 | L3MBTL1 (0.54) | SLC6A4HTR2AKCNH2ADRA1ATAAR1 | |
| SCHEMBL10605977 | 0.81 | MTNR1A (0.43) | ADRA1ATAAR1MTNR1AMTNR1BESR1 | |
| SCHEMBL1081732 | 0.80 | ADRA1A (0.66) | HTR2AADRA1ATAAR1MTNR1AMTNR1B | |
| SCHEMBL30452001 | 0.80 | CYP2D6 (0.51) | SLC6A4HTR2AKCNH2ADRA1ATAAR1 | |
| SCHEMBL24252802 | 0.80 | CYP2D6 (0.51) | SLC6A4HTR2AKCNH2ADRA1ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2938344-B1 | PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |