Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4414559 | 0.87 | AKR1B1 (0.57) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL1613976 | 0.84 | AKR1B1 (0.49) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL1613977 | 0.80 | ADORA3 (0.49) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL5018814 | 0.78 | ADORA3 (0.58) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL6136720 | 0.75 | SMN1; SMN2 (0.49) | ADORA3AKR1B1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6136718 | 0.75 | SMN1; SMN2 (0.49) | ADORA3AKR1B1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3088205 | 0.75 | ADORA3 (0.55) | ADORA3ADORA2AADORA2BADORA1NPC1 | |
| SCHEMBL13894574 | 0.74 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL12297061 | 0.74 | ADORA3 (0.53) | ADORA3ADORA2AADORA2BADORA1AKR1B1 | |
| SCHEMBL9656842 | 0.73 | FDPS (0.49) | ADORA3ADORA2AADORA2BADORA1AKR1B1 |
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-2011072345-A1 | ANTIFUNGAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2011-06-23 | — | — | WO | disclosed |