Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | HTR2B | P41595 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 3/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL2258692 | 0.87 | HTR2C (0.53) | HTR2CHTR2BMAPK1 | |
| SCHEMBL3522288 | 0.86 | MAPK1 (0.49) | DRD2DRD4ESR1ESR2HTR2C | |
| SCHEMBL3960258 | 0.84 | BRD4 (0.46) | HTR2CHTR2BMAPK1NOS1NOS2 | |
| SCHEMBL13806553 | 0.84 | MAPK1 (0.39) | HTR2CHTR2BMAPK1CRBNNOS1 | |
| SCHEMBL17881650 | 0.84 | HTR2C (0.43) | HTR2CHTR2BMAPK1NOS1 | |
| SCHEMBL21966127 | 0.84 | HTR2C (0.43) | HTR2CHTR2BMAPK1CYP2D6 | |
| SCHEMBL17881547 | 0.84 | KDM4E (0.49) | MAPK1CRBNSMYD3 | |
| SCHEMBL13884873 | 0.83 | ESR1 (0.37) | DRD2DRD4ESR1ESR2HTR2C | |
| SCHEMBL14410239 | 0.83 | ESR1 (0.43) | DRD2DRD4ESR1ESR2MAPK1 | |
| SCHEMBL13884718 | 0.82 | TNKS (0.46) | DRD2HTR2CHTR2BMAPK1 |
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-2379529-B1 | CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-06-10 | — | — | EP | disclosed |
| US-7230001-B1 | Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-06-12 | — | — | US | disclosed |