Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.30 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601494 | 0.92 | CALCRL (0.38) | CALCRLCYP3A4ENPP2 | |
| SCHEMBL13601448 | 0.86 | CALCRL (0.38) | CALCRLCYP3A4ENPP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL13601492 | 0.86 | CALCRL (0.39) | CALCRLCYP3A4ENPP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL13601340 | 0.84 | CALCRL (0.36) | CALCRLCYP3A4ENPP2 | |
| SCHEMBL13601382 | 0.84 | CALCRL (0.37) | CALCRLCYP3A4 | |
| SCHEMBL13601533 | 0.80 | KMT2A (0.39) | CALCRLCYP3A4SMYD3SMN1; SMN2ALDH1A1 | |
| SCHEMBL13601342 | 0.79 | CALCRL (0.35) | CALCRLCYP3A4ENPP2 | |
| SCHEMBL13601383 | 0.79 | CALCRL (0.36) | CALCRLCYP3A4 | |
| SCHEMBL13601574 | 0.79 | CALCRL (0.35) | CALCRLCYP3A4SMYD3ALDH1A1 | |
| SCHEMBL13601557 | 0.79 | CALCRL (0.35) | CALCRLCYP3A4SMYD3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |
| US-7625886-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |