Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL6869624 | 0.88 | ADORA2A (0.41) | RAB9ANPC1ADORA2ATP53ALDH1A1 | |
| SCHEMBL6863351 | 0.85 | PLAU (0.47) | ADORA2ATP53ALDH1A1LMNAHDAC3 | |
| SCHEMBL6871437 | 0.84 | ADORA2A (0.47) | RAB9ANPC1ADORA2AALDH1A1HTT | |
| SCHEMBL6863751 | 0.84 | ADORA2A (0.62) | RAB9ANPC1ADORA2ATP53ALDH1A1 | |
| SCHEMBL6868100 | 0.83 | ADORA2A (0.44) | RAB9ANPC1ADORA2ATP53ALDH1A1 | |
| SCHEMBL6870464 | 0.81 | ADORA2A (0.42) | RAB9ANPC1ADORA2AALDH1A1LMNA | |
| SCHEMBL6868343 | 0.81 | ADORA2A (0.45) | RAB9ANPC1ADORA2AALDH1A1MAPT | |
| SCHEMBL6867554 | 0.80 | ADORA2A (0.63) | ADORA2AALDH1A1HDAC1MAPTMEN1 | |
| SCHEMBL6867499 | 0.79 | KMT2A (0.43) | ADORA2AALDH1A1LMNAHDAC3HDAC1 | |
| SCHEMBL6870466 | 0.79 | TP53 (0.47) | TP53ALDH1A1LMNAMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |