Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 15/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 3/20 | 0.39 |
| ▸ | FEN1 | P39748 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20014154 | 0.86 | ADORA2B (0.44) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL20014390 | 0.83 | ERCC5 (0.41) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL18097144 | 0.78 | ADORA2B (0.62) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL19994054 | 0.77 | ADORA2B (0.32) | ADORA2B | |
| SCHEMBL20014397 | 0.77 | ADORA2B (0.32) | ADORA2B | |
| SCHEMBL20014489 | 0.72 | ADORA2B (0.55) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL18097276 | 0.72 | ADORA2B (0.60) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL20015116 | 0.72 | ADORA2A (0.58) | ADORA2BPDE1B | |
| SCHEMBL19994187 | 0.71 | ADORA2A (0.32) | ADORA2B | |
| SCHEMBL19995202 | 0.71 | ADORA2A (0.51) | ADORA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3515919-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2019-07-31 | — | — | EP | disclosed |
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |