Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 6/20 | 0.35 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5559237 | 1.00 | LMNA (0.36) | LMNAHTTNPSR1KDM4ESLC18A3 | |
| SCHEMBL4959867 | 0.99 | NAAA (0.36) | LMNAHTTNPSR1KDM4ESLC18A3 | |
| SCHEMBL4959861 | 0.98 | LMNA (0.35) | LMNAHTTNPSR1KDM4ESLC18A3 | |
| SCHEMBL5560000 | 0.82 | CALCRL (0.38) | — | |
| SCHEMBL5552436 | 0.75 | HSD11B1 (0.37) | SLC18A3NAAAALDH1A1ASAH1 | |
| SCHEMBL1197732 | 0.75 | HSD11B1 (0.37) | SLC18A3NAAAALDH1A1ASAH1 | |
| SCHEMBL1198609 | 0.75 | HSD11B1 (0.37) | SLC18A3NAAAALDH1A1ASAH1 | |
| SCHEMBL13225607 | 0.72 | ABCB1 (0.35) | NAAA | |
| SCHEMBL15716250 | 0.71 | CTSD (0.43) | LMNARENKCNH2SMN1; SMN2MAPK1 | |
| SCHEMBL15716455 | 0.71 | CTSD (0.43) | LMNARENKCNH2SMN1; SMN2MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799672-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006041830-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-04-20 | — | — | WO | disclosed |
| WO-2004092168-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-10-28 | — | — | WO | disclosed |