Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867215 | 0.89 | PLAU (0.47) | SMN1; SMN2POLBTP53HPGDCAMK2D | |
| SCHEMBL6872186 | 0.86 | SMN1; SMN2 (0.43) | BACE1SMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL6869989 | 0.85 | ADORA2A (0.58) | SMN1; SMN2NPC1RAB9AHTTNAAA | |
| SCHEMBL6870530 | 0.85 | ADORA2A (0.43) | BACE1ALOX15SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6870384 | 0.83 | ADORA2A (0.58) | BACE1ALOX15SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL6870605 | 0.83 | ADORA2A (0.58) | ALOX15POLBKDM4EALDH1A1MAPT | |
| SCHEMBL6871320 | 0.83 | SMN1; SMN2 (0.43) | BACE1ALOX15SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6873157 | 0.83 | HPGDS (0.51) | KDM4EALDH1A1HPGDTSHR | |
| SCHEMBL6871700 | 0.82 | SMN1; SMN2 (0.41) | BACE1ALOX15SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6872486 | 0.82 | ADORA2A (0.56) | ALOX15SMN1; SMN2TP53NAAA |
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 |