Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867741 | 0.85 | ADORA2A (0.46) | ADORA2AHDAC1HDAC6RAB9ANPC1 | |
| SCHEMBL6871948 | 0.82 | HDAC2 (0.46) | ADORA2AHDAC1HDAC6RAB9ANPC1 | |
| SCHEMBL6863751 | 0.82 | ADORA2A (0.62) | ADORA2AHDAC1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6871970 | 0.82 | ADORA2A (0.43) | ADORA2AHDAC1HDAC6MAPTSMN1; SMN2 | |
| SCHEMBL6868100 | 0.81 | ADORA2A (0.44) | ADORA2ARAB9ANPC1ALDH1A1LMNA | |
| SCHEMBL6870449 | 0.81 | RAB9A (0.45) | ADORA2AHDAC1HDAC6RAB9ANPC1 | |
| SCHEMBL6872082 | 0.80 | KMT2A (0.51) | HDAC1HDAC6ALDH1A1LMNAMAPT | |
| SCHEMBL6871621 | 0.80 | CAMK2D (0.40) | ADORA2AHDAC1HDAC6RAB9ANPC1 | |
| SCHEMBL6872927 | 0.79 | TP53 (0.46) | HDAC1ALDH1A1LMNAMAPT | |
| SCHEMBL6867554 | 0.78 | ADORA2A (0.63) | ADORA2AHDAC1ALDH1A1MAPTPKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |