Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 15/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CBX7 | O95931 | 1/20 | 0.41 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.41 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.41 |
| ▸ | RAMP1 | O60894 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964416 | 0.88 | ALDH1A1 (0.41) | CALCRLACHECBX7CDYL2CDYL | |
| SCHEMBL4079721 | 0.87 | PDE3B (0.41) | CALCRLRAMP1DPP4 | |
| SCHEMBL1700431 | 0.84 | PDE3B (0.46) | ALDH1A1 | |
| SCHEMBL3963894 | 0.83 | PDE3B (0.40) | — | |
| SCHEMBL30178252 | 0.83 | CBX7 (0.41) | CALCRLACHECBX7CDYL2CDYL | |
| SCHEMBL30178610 | 0.83 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL3960086 | 0.82 | CALCRL (0.55) | CALCRLRAMP1 | |
| SCHEMBL5374732 | 0.82 | CALCRL (0.41) | CALCRLACHECBX7CDYL2CDYL | |
| SCHEMBL13907937 | 0.82 | ALDH1A1 (0.38) | CALCRLCBX7CDYL2CDYLRAMP1 | |
| SCHEMBL4079724 | 0.81 | PDE3B (0.40) | DPP4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009034029-A2 | 1-SUBSTITUTED 4-HETEROCYCLYLPIPERIDINES FOR USE AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |