Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27092763 | 0.84 | KDM4E (0.64) | KDM4EALDH1A1MEN1KMT2AROCK2 | |
| SCHEMBL30007165 | 0.84 | KDM4E (0.64) | KDM4EALDH1A1MEN1KMT2AROCK2 | |
| SCHEMBL28652231 | 0.81 | ALDH1A1 (0.51) | KDM4EALDH1A1MEN1KMT2AGAA | |
| SCHEMBL19873872 | 0.80 | ALDH1A1 (0.49) | KDM4EALDH1A1MEN1KMT2AROCK2 | |
| SCHEMBL3054430 | 0.79 | NOS2 (0.67) | KDM4EALDH1A1MEN1KMT2ANOS2 | |
| SCHEMBL28776961 | 0.78 | ALDH1A1 (0.43) | KDM4EALDH1A1MEN1KMT2AROCK2 | |
| Ammonia Solution, Strong SCHEMBL3061153 | 0.78 | NOS2 (0.66) | KDM4EALDH1A1MEN1KMT2ANOS2 | |
| SCHEMBL3063816 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2AGAANOS2 | |
| Ammonia Solution, Strong SCHEMBL28775699 | 0.76 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2AGAANOS2 | |
| SCHEMBL5315582 | 0.75 | NOS2 (0.64) | KDM4EALDH1A1MEN1KMT2ANOS2 |
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-2007763-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | Merck & Co., Inc. (US) | 2008-12-31 | — | — | EP | claimed |
| WO-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2007-10-25 | — | — | WO | claimed |
| 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-2007120590-A2 | PROCESS FOR THE PREPARATION OF PYRIDINE HETEROCYCLE CGRP ANTAGONIST INTERMEDIATE | 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 |