Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | HTR2B | P41595 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 4/20 | 0.36 |
| ▸ | NOS2 | P35228 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3960258 | 0.84 | BRD4 (0.46) | MAPK1HTR2CHTR2BNOS1NOS2 | |
| SCHEMBL17881650 | 0.84 | HTR2C (0.43) | MAPK1HTR2CHTR2BNOS1 | |
| SCHEMBL14498122 | 0.84 | DRD2 (0.42) | MAPK1CRBNHTR2CHTR2BNOS1 | |
| SCHEMBL21966127 | 0.84 | HTR2C (0.43) | MAPK1HTR2CHTR2BCYP2D6KHK | |
| SCHEMBL2258692 | 0.84 | HTR2C (0.53) | MAPK1HTR2CHTR2B | |
| SCHEMBL13884718 | 0.82 | TNKS (0.46) | MAPK1HTR2CHTR2B | |
| SCHEMBL17881255 | 0.81 | MAPK1 (0.39) | MAPK1HTR2CHTR2BNOS1NOS2 | |
| SCHEMBL17881547 | 0.81 | KDM4E (0.49) | MAPK1CRBN | |
| SCHEMBL1207348 | 0.81 | HTR2C (0.46) | MAPK1HTR2CHTR2BPARP1HRH3 | |
| SCHEMBL651023 | 0.81 | HTR2C (0.49) | HTR2CHTR2BPARP1 |
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-2065382-A1 | CGRP antagonists | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2009-06-03 | — | — | EP | disclosed |