Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20219548 | 0.94 | KCNH2 (0.46) | TLR7KCNH2ALOX5TLR8 | |
| SCHEMBL15470170 | 0.88 | KCNH2 (0.48) | TLR7KCNH2TLR8 | |
| SCHEMBL20386633 | 0.88 | KCNH2 (0.48) | TLR7KCNH2TLR8 | |
| SCHEMBL22825028 | 0.84 | TLR7 (0.43) | TLR7KCNH2CDK1CDK5TLR8 | |
| SCHEMBL20025838 | 0.84 | TLR7 (0.43) | TLR7KCNH2CDK1CDK5TLR8 | |
| SCHEMBL20413304 | 0.83 | CYP2D6 (0.46) | TLR7KCNH2TLR8 | |
| SCHEMBL20386625 | 0.83 | CYP2D6 (0.46) | TLR7KCNH2TLR8 | |
| SCHEMBL13195708 | 0.83 | CYP2D6 (0.46) | TLR7KCNH2TLR8 | |
| SCHEMBL20418745 | 0.82 | KCNH2 (0.41) | TLR7KCNH2TLR8 | |
| SCHEMBL15470225 | 0.81 | KCNH2 (0.56) | TLR7KCNH2TLR8 |
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-3330257-A1 | PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS | Janssen Sciences Ireland UC (IE) | 2018-06-06 | — | — | EP | disclosed |