Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 3/20 | 0.42 |
| ▸ | HTR1D | P28221 | 3/20 | 0.42 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29622057 | 0.63 | CCNB2 (0.54) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL624585 | 0.63 | CCNB2 (0.54) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL30511168 | 0.61 | NPC1 (0.50) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL2234486 | 0.61 | NPC1 (0.50) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL29807547 | 0.61 | NOTUM (0.59) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL158725 | 0.61 | NOTUM (0.59) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL25367023 | 0.60 | HTR5A (0.45) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL8872738 | 0.60 | PDE7A (0.46) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL31180313 | 0.59 | HTR5A (0.44) | HTR5AHTR2CHTR1AHTR1DHTR7 | |
| SCHEMBL2408663 | 0.59 | MAPT (0.53) | HTR5AHTR2CHTR1AHTR1DHTR7 |
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-2102157-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008074703-A1 | HETEROARYL PYRROLIDINYL AND PIPERIDINYL KETONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-06-26 | — | — | WO | disclosed |