Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 19/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4098540 | 0.77 | PARP1 (0.41) | PARP1PARP2PTGS1PTGS2 | |
| SCHEMBL605246 | 0.69 | HRH4 (0.67) | PARP1PARP2 | |
| SCHEMBL4353612 | 0.65 | HRH4 (0.42) | PARP1 | |
| SCHEMBL5620255 | 0.65 | PARP1 (1.00) | PARP1PARP2 | |
| SCHEMBL28563678 | 0.63 | HSP90AA1 (0.43) | — | |
| SCHEMBL6870352 | 0.62 | PARP1 (0.72) | PARP1PARP2 | |
| SCHEMBL1298068 | 0.61 | PARP1 (0.64) | PARP1PARP2 | |
| SCHEMBL3411686 | 0.59 | SLC6A2 (0.46) | — | |
| SCHEMBL3265108 | 0.59 | DAO (0.35) | — | |
| SCHEMBL28775974 | 0.58 | KDM4E (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |