Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 10/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | CALCA | P06881 | 9/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL3599533 | 1.00 | CALCRL (1.00) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL30231971 | 0.92 | CALCRL (0.86) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL5456743 | 0.92 | CALCRL (0.86) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL5461651 | 0.91 | CALCRL (0.84) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL30231451 | 0.91 | CALCRL (0.84) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL3598277 | 0.90 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6 | |
| SCHEMBL30231303 | 0.90 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL3597024 | 0.90 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL3598611 | 0.90 | CALCRL (0.82) | CALCRLCYP3A4CYP2D6CALCA | |
| SCHEMBL13053544 | 0.90 | CALCRL (1.00) | CALCRLCYP3A4CYP2D6CALCA |
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-2023146866-A2 | METHODS FOR TREATING CALCITONIN GENE-RELATED PEPTIDE (CGRP) - EXPRESSING CANCERS | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2023-08-03 | — | — | WO | disclosed |