Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 3/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013637 | 0.99 | RIPK1 (0.34) | RIPK1CTSDBACE1 | |
| SCHEMBL1014016 | 0.77 | CTSD (0.35) | RIPK1CTSDBACE1 | |
| SCHEMBL4192601 | 0.74 | CTSD (0.37) | CTSDBACE1 | |
| SCHEMBL1225573 | 0.73 | DRD2 (0.36) | RIPK1 | |
| SCHEMBL16704779 | 0.72 | CYP2C19 (0.31) | — | |
| SCHEMBL981358 | 0.68 | OPRL1 (0.35) | CTSDBACE1 | |
| SCHEMBL977079 | 0.68 | BACE1 (0.36) | CTSDBACE1 | |
| SCHEMBL10207189 | 0.63 | CYP2C19 (0.34) | — | |
| SCHEMBL2090673 | 0.62 | FFAR3 (0.38) | — | |
| SCHEMBL3706008 | 0.62 | SLC6A3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| EP-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |