Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.31 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.30 |
| ▸ | METAP2 | P50579 | 1/20 | 0.30 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL978138 | 1.00 | RIPK1 (0.34) | RIPK1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL978376 | 0.84 | RIPK1 (0.36) | RIPK1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL977719 | 0.83 | DPP4 (0.37) | RIPK1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1272344 | 0.71 | RIPK1 (0.38) | RIPK1FFAR2NPY5R | |
| SCHEMBL1274517 | 0.71 | RIPK1 (0.36) | RIPK1MDM2TP53 | |
| SCHEMBL4337706 | 0.71 | RIPK1 (0.36) | RIPK1MDM2TP53 | |
| SCHEMBL1274559 | 0.70 | CALCRL (0.41) | RIPK1FFAR2FFAR4MDM2TP53 | |
| SCHEMBL981354 | 0.70 | RIPK1 (0.36) | RIPK1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1274728 | 0.68 | CALCRL (0.41) | RIPK1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL4197385 | 0.66 | — | — |
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 |