Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 4/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | RGS4 | P49798 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL608511 | 0.79 | TYR (0.34) | CNR2PDE4AADORA2AADORA2BPDE4B | |
| SCHEMBL1440849 | 0.74 | — | — | |
| SCHEMBL15424625 | 0.72 | L3MBTL1 (0.57) | ALDH1A1CNR1CNR2GLO1NPC1 | |
| SCHEMBL9097727 | 0.70 | — | — | |
| SCHEMBL9098708 | 0.70 | ALDH1A1 (0.39) | ALDH1A1PDE4AADORA2AADORA2BPDE4B | |
| SCHEMBL20704738 | 0.69 | PKM (0.43) | ALDH1A1ADORA2BMEN1KMT2ANPC1 | |
| SCHEMBL24983495 | 0.68 | ALDH1A1 (0.41) | ALDH1A1CNR2PDE4AADORA2AADORA2B | |
| SCHEMBL19789271 | 0.68 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL13075101 | 0.68 | ALDH1A1 (0.41) | ALDH1A1PDE4AADORA2AADORA2BPDE4B | |
| SCHEMBL27298478 | 0.67 | ALDH1A1 (0.42) | ALDH1A1CNR1CNR2PDE4AADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | claimed |
| WO-2010131147-A1 | CYCLOBUTENEDIONE DERIVATIVES | PFIZER LIMITED (GB) | 2010-11-18 | — | — | WO | disclosed |