Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | HTR1B | P28222 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL25375445 | 0.98 | KDM4E (0.72) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL12408539 | 0.89 | KDM4E (0.52) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL12804950 | 0.85 | KCNH2 (0.49) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL31050988 | 0.84 | KDM4E (0.95) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL8834938 | 0.84 | KDM4E (0.95) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL17874885 | 0.83 | L3MBTL1 (0.67) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL10000453 | 0.83 | KDM4E (0.63) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL8795460 | 0.83 | HPGD (0.47) | KDM4EHPGDSMN1; SMN2HTR1BTP53 | |
| SCHEMBL2911943 | 0.83 | MAPT (0.52) | KDM4EHPGDSMN1; SMN2MAPTL3MBTL1 | |
| SCHEMBL16106140 | 0.82 | PNMT (0.44) | KDM4EHPGDSMN1; SMN2TAAR1MAPT |
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-2017197488-A1 | LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-11-23 | — | — | WO | disclosed |