Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3390679 | 0.82 | CYP2D6 (0.52) | CYP2D6TSHRLRRK2CYP1A2CYP3A4 | |
| SCHEMBL29504400 | 0.76 | KMT2A (0.51) | TSHRHSD17B10LMNAMAPTPOLB | |
| SCHEMBL6528435 | 0.76 | KMT2A (0.51) | TSHRHSD17B10LMNAMAPTPOLB | |
| SCHEMBL7550023 | 0.75 | TSHR (0.57) | CYP2D6TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL12312314 | 0.74 | ALDH1A1 (0.50) | CYP2D6CYP1A2CYP3A4HSD17B10HIF1A | |
| SCHEMBL4930910 | 0.74 | ACHE (0.62) | CYP2D6CYP1A2ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL13500541 | 0.74 | KDM4E (0.55) | CYP2D6TSHRCYP1A2CYP3A4HSD17B10 | |
| SCHEMBL20837291 | 0.73 | NCF1 (0.44) | CYP2D6CYP1A2CYP3A4HSD17B10LMNA | |
| SCHEMBL2476416 | 0.73 | KDM4E (0.47) | TSHRHSD17B10ALDH1A1MAPTKDM4E | |
| SCHEMBL6528819 | 0.72 | CYP2D6 (0.58) | CYP2D6TSHRCYP1A2CYP3A4HSD17B10 |
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 |