Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5018814 | 0.81 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL12297061 | 0.81 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL12912144 | 0.77 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL4414559 | 0.77 | AKR1B1 (0.57) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL1613977 | 0.77 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL1272257 | 0.74 | ADORA3 (0.50) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL1613976 | 0.74 | AKR1B1 (0.49) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL2011938 | 0.74 | ADORA3 (0.50) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL1272255 | 0.74 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL930343 | 0.74 | ADORA3 (0.59) | ADORA3ADORA2AADORA2BADORA1NPC1 |
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-2009055357-A1 | DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-30 | — | — | WO | disclosed |