Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 12/20 | 0.48 |
| ▸ | HTR2B | P41595 | 8/20 | 0.48 |
| ▸ | HTR2A | P28223 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | NOS2 | P35228 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL651023 | 0.84 | HTR2C (0.49) | HTR2CHTR2BHTR2ANPC1MAPK13 | |
| SCHEMBL30178303 | 0.84 | HTR2C (0.49) | HTR2CHTR2BHTR2ANPC1MAPK13 | |
| Hydrochloric Acid SCHEMBL1819629 | 0.83 | HTR2C (0.48) | HTR2CHTR2BHTR2ANPC1MAPK13 | |
| SCHEMBL12372576 | 0.83 | HTR2C (0.48) | HTR2CHTR2BHTR2ANPC1MAPK13 | |
| SCHEMBL2709111 | 0.75 | HTR2C (0.77) | HTR2CHTR2BHTR2ANOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL4781145 | 0.75 | CALCRL (0.46) | HTR2CHTR2BRAMP1CALCRL | |
| Hydrochloric Acid SCHEMBL3947175 | 0.74 | HTR2C (0.75) | HTR2CHTR2BHTR2ANOS1NOS2 | |
| SCHEMBL723359 | 0.74 | HTR2C (0.61) | HTR2CHTR2BHTR2APARP1 | |
| SCHEMBL30015409 | 0.74 | HTR2C (0.61) | HTR2CHTR2BHTR2APARP1 | |
| Hydrochloric Acid SCHEMBL11737591 | 0.72 | HTR2C (0.59) | HTR2CHTR2BHTR2APARP1 |
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-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |