Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.44 |
| ▸ | HTR2B | P41595 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 4/20 | 0.42 |
| ▸ | DRD5 | P21918 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28643716 | 0.81 | HRH3 (0.39) | HRH3CYP2D6HTR2CHTR2B | |
| SCHEMBL16846277 | 0.81 | HRH3 (0.56) | HRH3CYP2D6HTR2CHTR2BDRD1 | |
| SCHEMBL16855300 | 0.81 | HRH3 (0.56) | HRH3CYP2D6HTR2CHTR2BDRD1 | |
| Hydrochloric Acid SCHEMBL16824528 | 0.80 | HRH3 (0.55) | HRH3CYP2D6HTR2CHTR2BDRD1 | |
| Hydrochloric Acid SCHEMBL16824558 | 0.80 | HRH3 (0.55) | HRH3CYP2D6HTR2CHTR2BDRD1 | |
| SCHEMBL28186450 | 0.78 | HRH3 (0.36) | HRH3CYP2D6HTR2CHTR2B | |
| SCHEMBL4074412 | 0.77 | HTR2C (0.43) | HRH3CYP2D6HTR2CHTR2B | |
| SCHEMBL1207348 | 0.77 | HTR2C (0.46) | HRH3HTR2CHTR2BDRD1DRD5 | |
| SCHEMBL565913 | 0.71 | DRD2 (0.53) | HRH3HTR2CHTR2BDRD1DRD5 | |
| SCHEMBL5871641 | 0.71 | HTR2C (0.65) | HRH3HTR2CHTR2BDRD1DRD5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| EP-2205590-A1 | CGRP ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |