Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6866973 | 0.86 | BACE1 (0.48) | SMN1; SMN2HPGDNPC1RAB9ANAAA | |
| SCHEMBL6869989 | 0.83 | ADORA2A (0.58) | SMN1; SMN2NPC1RAB9ANAAAHTT | |
| SCHEMBL6871320 | 0.81 | SMN1; SMN2 (0.43) | SMN1; SMN2HPGDNPC1RAB9ANAAA | |
| SCHEMBL6870605 | 0.81 | ADORA2A (0.58) | HPGDADORA2AMCL1 | |
| SCHEMBL6870384 | 0.81 | ADORA2A (0.58) | SMN1; SMN2HPGDHTTADORA2AEGLN2 | |
| SCHEMBL6867215 | 0.80 | PLAU (0.47) | SMN1; SMN2CYP1A2HPGDCYP2C19TP53 | |
| SCHEMBL6869214 | 0.80 | KMT2A (0.46) | ADORA2ALMNA | |
| SCHEMBL6868276 | 0.80 | TP53 (0.44) | SMN1; SMN2CYP1A2CYP3A4HPGDCYP2C19 | |
| SCHEMBL6871700 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2HPGDNPC1RAB9AADORA2A | |
| SCHEMBL6872919 | 0.79 | KDM4A (0.52) | SMN1; SMN2HPGDADORA2A |
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 |