Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17493831 | 0.82 | AAK1 (1.00) | AAK1ALDH1A1KMT2AMAPK1KDM4E | |
| SCHEMBL6533994 | 0.80 | AAK1 (0.52) | AAK1ALDH1A1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL23525007 | 0.75 | NPC1 (0.62) | AAK1ALDH1A1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL23525009 | 0.75 | NPC1 (0.62) | AAK1ALDH1A1KMT2ASMN1; SMN2MAPK1 | |
| SCHEMBL3763365 | 0.75 | HDAC1 (0.61) | ALDH1A1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL6878531 | 0.74 | MDM4 (0.65) | ALDH1A1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL15986886 | 0.73 | GSK3B (0.53) | AAK1ALDH1A1MAPK1KDM4ETSHR | |
| SCHEMBL9278837 | 0.73 | IDO1 (0.57) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL9278830 | 0.73 | IDO1 (0.57) | HDAC1HDAC3HDAC4HDAC7HDAC2 | |
| SCHEMBL18711850 | 0.72 | ALDH1A1 (0.70) | ALDH1A1KMT2ASMN1; SMN2MAPK1MEN1 |
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 |