Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 5/20 | 0.44 |
| ▸ | HTR2B | P41595 | 4/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | OTUD7B | Q6GQQ9 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3995834 | 0.90 | TNKS (0.42) | TNKSHTR2CHTR2BHTR2AKDM4E | |
| SCHEMBL3601664 | 0.87 | TNKS (0.58) | TNKSHTR2CHTR2BHTR2AKDM4E | |
| SCHEMBL13806553 | 0.82 | MAPK1 (0.39) | HTR2CHTR2BMAPK1 | |
| SCHEMBL21966127 | 0.82 | HTR2C (0.43) | HTR2CHTR2BHTR2AALDH1A1MAPT | |
| SCHEMBL14498122 | 0.82 | DRD2 (0.42) | HTR2CHTR2BDRD2MAPK1 | |
| SCHEMBL17881650 | 0.82 | HTR2C (0.43) | HTR2CHTR2BHTR2AMAPK1 | |
| SCHEMBL2258692 | 0.82 | HTR2C (0.53) | HTR2CHTR2BHTR2AMAPKAPK2MAPK1 | |
| SCHEMBL3960258 | 0.82 | BRD4 (0.46) | HTR2CHTR2BPNMTMAPK1RIPK1 | |
| SCHEMBL1207348 | 0.79 | HTR2C (0.46) | HTR2CHTR2BHTR2AKDM4EALDH1A1 | |
| SCHEMBL17881547 | 0.79 | KDM4E (0.49) | KDM4EMAPTKDM1AMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |