Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871945 | 0.82 | ADORA2A (0.42) | ADORA2ALMNANPC1RAB9AHPGD | |
| SCHEMBL6870443 | 0.82 | LMNA (0.45) | ADORA2ALMNANPC1RAB9AHPGD | |
| SCHEMBL6863748 | 0.82 | ADORA2A (0.64) | ADORA2ALMNANPC1RAB9AHPGD | |
| SCHEMBL6868029 | 0.81 | CHRM4 (0.52) | LMNAHPGDCYP1A2CYP2C19TAS1R3 | |
| SCHEMBL6867741 | 0.80 | ADORA2A (0.46) | ADORA2ANPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL6869056 | 0.80 | ADORA2A (0.66) | ADORA2AHPGDTSHR | |
| SCHEMBL6868095 | 0.80 | KDM4E (0.53) | ADORA2ALMNANPC1RAB9AHPGD | |
| SCHEMBL6867550 | 0.80 | ADORA2A (0.67) | ADORA2AHPGDSMN1; SMN2 | |
| SCHEMBL6871621 | 0.80 | CAMK2D (0.40) | ADORA2ALMNANPC1RAB9AHPGD | |
| SCHEMBL6871970 | 0.79 | ADORA2A (0.43) | ADORA2AHPGDSMN1; SMN2MAPT |
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 |