Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | PLD2 | O14939 | 1/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.39 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.39 |
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) | PARP1KDM4EGAAHSD17B10KMT2A | |
| SCHEMBL6509590 | 0.91 | KDM4E (0.49) | PARP1KDM4EGAAHSD17B10KMT2A | |
| SCHEMBL6508473 | 0.86 | MAPK1 (0.46) | PARP1KDM4EGAAHSD17B10ALDH1A1 | |
| SCHEMBL17731555 | 0.73 | IRAK4 (0.56) | KDM4EGAAKMT2AMEN1ALDH1A1 | |
| SCHEMBL6644132 | 0.69 | RAB9A (0.43) | PARP1KDM4EGAAHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8814898 | 0.66 | GRIN2B (0.59) | PARP1KDM4EHSD17B10ALDH1A1CYP1A2 | |
| SCHEMBL13325189 | 0.64 | TSHR (0.45) | KDM4EGAAHSD17B10AVPR2OPRM1 | |
| SCHEMBL12123774 | 0.64 | ALDH1A1 (0.72) | SIGMAR1KMT2ANPSR1MEN1ALDH1A1 | |
| SCHEMBL6500237 | 0.64 | KDM4E (0.62) | KDM4EHSD17B10OPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL7932172 | 0.63 | ALDH1A1 (0.70) | SIGMAR1KMT2ANPSR1MEN1ALDH1A1 |
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 |