Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.47 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1207130 | 0.84 | OPRD1 (0.53) | NPFFR1NPFFR2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL4717872 | 0.77 | SMN1; SMN2 (0.51) | ALDH1A1 | |
| SCHEMBL2158292 | 0.77 | DRD2 (0.53) | NPFFR1NPFFR2CYP2D6TSHRALDH1A1 | |
| SCHEMBL27524788 | 0.75 | SIGMAR1 (0.53) | ALDH1A1SIGMAR1POLB | |
| SCHEMBL3395200 | 0.75 | GRIN2B (0.47) | L3MBTL1 | |
| SCHEMBL4658746 | 0.74 | KDM4E (0.31) | ALDH1A1CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL31334693 | 0.74 | NPFFR1 (0.53) | NPFFR1NPFFR2CYP2D6TSHRALDH1A1 | |
| SCHEMBL14722834 | 0.74 | NPFFR1 (0.50) | NPFFR1NPFFR2CYP2D6TSHRALDH1A1 | |
| SCHEMBL1997960 | 0.74 | NPFFR1 (0.58) | NPFFR1NPFFR2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL2085642 | 0.73 | MC4R (0.69) | NPFFR1NPFFR2CYP2D6TSHRALDH1A1 |
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-1917256-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007020261-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-02-22 | — | — | WO | disclosed |