Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13859959 | 0.83 | MAPT (0.71) | MAPTKDM4ENCOA1NCOA3MET | |
| SCHEMBL19862342 | 0.81 | PARP1 (0.54) | MAPTKDM4ETYMSCYP3A4CYP1B1 | |
| SCHEMBL428159 | 0.79 | MAPT (0.58) | MAPTKDM4ECYP3A4CYP1A2LMNA | |
| SCHEMBL29662059 | 0.79 | MAPT (0.58) | MAPTKDM4ECYP3A4CYP1A2LMNA | |
| SCHEMBL14127412 | 0.79 | MAPT (0.58) | MAPTKDM4ECYP3A4CYP1A2LMNA | |
| SCHEMBL2449685 | 0.77 | MET (0.54) | TYMSMET | |
| SCHEMBL7148840 | 0.76 | MET (0.45) | TYMSMETKMT2APARP1 | |
| SCHEMBL4058591 | 0.73 | MET (0.57) | MAPTKDM4ENCOA1TYMSMET | |
| SCHEMBL2451554 | 0.73 | CYP3A4 (0.71) | MAPTKDM4ENCOA1METMAPK14 | |
| SCHEMBL13859950 | 0.71 | MAPT (0.54) | MAPTKDM4ENCOA1NCOA3MET |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003084931-A1 | 5H-BENZO[4,5]CYCLOHEPTA[1,2-B]PYRIDINE NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |