Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 2/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL6887643 | 0.87 | PSEN1 (0.39) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6615760 | 0.65 | LMNA (0.50) | ALDH1A1 | |
| SCHEMBL12493641 | 0.64 | PSEN1 (0.47) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL1822089 | 0.63 | CALCRL (0.35) | TP53 | |
| SCHEMBL23911957 | 0.63 | SMN1; SMN2 (0.41) | ALDH1A1 | |
| SCHEMBL15283788 | 0.62 | CHRNB2 (0.33) | TP53 | |
| SCHEMBL2091488 | 0.60 | CES2 (0.44) | PTGIRALDH1A1 | |
| SCHEMBL2524354 | 0.60 | — | — | |
| SCHEMBL12494089 | 0.60 | PSEN1 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL20550632 | 0.60 | TSHR (0.42) | PTGIRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1796678-A4 | CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-09-02 | — | — | EP | disclosed |
| EP-1802372-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1796678-A2 | CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006044449-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2006031606-A2 | CARBOXAMIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | WO | disclosed |