Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5011270 | 0.83 | CES2 (0.40) | CES2CES1ERN1 | |
| SCHEMBL15994982 | 0.78 | CES2 (0.44) | CES2CES1BCHEERN1GLS | |
| SCHEMBL16795536 | 0.77 | CES2 (0.39) | CES2CES1BCHEERN1TDP1 | |
| SCHEMBL20550915 | 0.76 | CES2 (0.43) | CES2CES1BCHEERN1GLS | |
| SCHEMBL6405941 | 0.74 | CES2 (0.44) | CES2CES1BCHEGLS | |
| SCHEMBL8583190 | 0.72 | CES2 (0.47) | CES2CES1BCHEERN1GLS | |
| SCHEMBL28361570 | 0.71 | CES2 (0.50) | CES2CES1BCHEGLS | |
| SCHEMBL6506736 | 0.69 | PNMT (0.48) | TDP1 | |
| SCHEMBL16781678 | 0.69 | CES2 (0.41) | CES2CES1BCHEGLS | |
| SCHEMBL3962351 | 0.69 | NAPRT (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007395-A1 | CGRP ANTAGONIST SALT | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007764-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| EP-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | disclosed |
| WO-2007120592-A1 | CGRP ANTAGONIST SALT | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120591-A1 | PROCESS FOR THE PREPARATION OF CGRP ANTAGONIST | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | disclosed |