Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6504605 | 0.91 | USP2 (0.44) | KDM4EALDH1A1NPC1RAB9AEPHX2 | |
| SCHEMBL6505871 | 0.91 | PARP1 (0.45) | KDM4ENPSR1ALDH1A1GAAHSD17B10 | |
| SCHEMBL6508473 | 0.87 | MAPK1 (0.46) | KDM4EALDH1A1RAB9AGAAHSD17B10 | |
| SCHEMBL17731555 | 0.71 | IRAK4 (0.56) | KDM4EALDH1A1NPC1RAB9AGAA | |
| SCHEMBL6532182 | 0.71 | KDM4E (0.77) | KDM4ENPSR1ALDH1A1HTR1AMAOA | |
| SCHEMBL6644132 | 0.71 | RAB9A (0.43) | KDM4EALDH1A1RAB9AGAAHSD17B10 | |
| Hydrochloric Acid SCHEMBL8814898 | 0.67 | GRIN2B (0.59) | KDM4EALDH1A1HTR1ANPC1RAB9A | |
| SCHEMBL6530642 | 0.66 | KDM4E (1.00) | KDM4ENPSR1ALDH1A1RAB9AHSD17B10 | |
| Moclobemide SCHEMBL3408310 | 0.66 | CD274 (1.00) | KDM4EALDH1A1HTR1AMAOAMAOB | |
| Moclobemide SCHEMBL49708 | 0.66 | CD274 (1.00) | KDM4EALDH1A1HTR1AMAOAMAOB |
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-2005021547-A2 | HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS | PHARMAXIS PTY LTD. (AU) | 2005-03-10 | — | — | WO | disclosed |