Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 4/20 | 0.37 |
| ▸ | HTR2B | P41595 | 4/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4079721 | 0.87 | PDE3B (0.41) | PDE3BPDE3ALCKNOTUMPARP1 | |
| SCHEMBL1700431 | 0.85 | PDE3B (0.46) | PDE3BPDE3APARP1HTR2CHTR2B | |
| SCHEMBL4074982 | 0.82 | CALCRL (0.48) | — | |
| SCHEMBL1207348 | 0.82 | HTR2C (0.46) | PDE3BPDE3APARP1HTR2CHTR2B | |
| SCHEMBL7007849 | 0.82 | PDE3B (0.45) | PDE3BPDE3ALCKPARP1HTR2C | |
| SCHEMBL3958975 | 0.81 | CALCRL (0.43) | DPP4 | |
| SCHEMBL19873878 | 0.81 | HTR2C (0.42) | PDE3BPDE3ALCKNOTUMHTR2C | |
| SCHEMBL30178610 | 0.81 | ALDH1A1 (0.51) | KDM4EKMT2ATP53 | |
| SCHEMBL2921538 | 0.80 | LCK (0.36) | PDE3BPDE3ALCKKDM4EKMT2A | |
| SCHEMBL3964416 | 0.80 | ALDH1A1 (0.41) | MTNR1AMTNR1B |
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-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |
| EP-1732917-B1 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-07-29 | — | — | EP | disclosed |