Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 8/20 | 0.34 |
| ▸ | BACE1 | P56817 | 8/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1012605 | 0.99 | RIPK1 (0.34) | RIPK1CTSDBACE1 | |
| SCHEMBL1014016 | 0.78 | CTSD (0.35) | RIPK1CTSDBACE1 | |
| SCHEMBL4192601 | 0.76 | CTSD (0.37) | CTSDBACE1CYP3A4 | |
| SCHEMBL1225573 | 0.72 | DRD2 (0.36) | RIPK1HSD11B1 | |
| SCHEMBL16704779 | 0.71 | CYP2C19 (0.31) | — | |
| SCHEMBL977079 | 0.69 | BACE1 (0.36) | CTSDBACE1CYP3A4 | |
| SCHEMBL981358 | 0.68 | OPRL1 (0.35) | CTSDBACE1 | |
| SCHEMBL2089260 | 0.64 | CYP2C19 (0.38) | — | |
| SCHEMBL10207189 | 0.63 | CYP2C19 (0.34) | — | |
| SCHEMBL1786646 | 0.62 | CTSD (0.42) | RIPK1CTSDBACE1HSD11B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009120652-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-10-01 | — | — | WO | disclosed |
| EP-2029575-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2008020902-A1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-02-21 | — | — | WO | disclosed |