Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 12/20 | 0.35 |
| ▸ | RAMP1 | O60894 | 3/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13907901 | 0.80 | CALCRL (0.35) | CALCRLRAMP1 | |
| SCHEMBL13907904 | 0.79 | CALCRL (0.37) | CALCRL | |
| SCHEMBL13907912 | 0.79 | CALCRL (0.36) | CALCRLCYP3A4 | |
| SCHEMBL13907944 | 0.78 | CALCRL (0.41) | CALCRLRAMP1SMN1; SMN2CYP3A4 | |
| SCHEMBL13908016 | 0.78 | CALCRL (0.36) | CALCRLCYP3A4 | |
| SCHEMBL13907858 | 0.76 | CALCRL (0.52) | CALCRLRAMP1CYP3A4 | |
| SCHEMBL3955673 | 0.73 | CALCRL (0.51) | CALCRLRAMP1SMN1; SMN2CYP3A4 | |
| SCHEMBL13907963 | 0.73 | TSHR (0.38) | CALCRLRAMP1SMN1; SMN2 | |
| SCHEMBL13908013 | 0.72 | ALDH1A1 (0.38) | CALCRLRAMP1SMN1; SMN2 | |
| SCHEMBL13907831 | 0.72 | ALDH1A1 (0.37) | CALCRL |
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 |