Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19064421 | 0.89 | KDM4E (0.47) | CYP2C9CYP2C19MAPK14KDM4EMAPK1 | |
| SCHEMBL15058720 | 0.86 | SCN1A (0.53) | CYP2C9CYP2C19MAPK14KDM4EMAPK1 | |
| SCHEMBL18043819 | 0.85 | CYP2C9 (0.50) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| SCHEMBL15058311 | 0.84 | KDM4E (0.56) | KDM4EALDH1A1LMNA | |
| SCHEMBL7086564 | 0.81 | CYP2C9 (0.60) | CYP2C9CYP2C19MAPK14MEN1KMT2A | |
| SCHEMBL750673 | 0.77 | RBP4 (0.55) | CYP2C19KDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL6177917 | 0.76 | CYP2C9 (0.57) | CYP2C9CYP2C19MAPK14HTR2BALDH1A1 | |
| SCHEMBL450556 | 0.76 | MEN1 (0.46) | CYP2C9CYP2C19MAPK14HTR2BLMNA | |
| SCHEMBL4771649 | 0.76 | RAB9A (0.54) | CYP2C9CYP2C19MAPK14ALDH1A1MEN1 | |
| SCHEMBL16992294 | 0.75 | MAPK14 (0.53) | CYP2C9CYP2C19MAPK14KDM4EMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104039789-A | Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators | MERCK PATENT GMBH | 2014-09-10 | — | — | CN | disclosed |