Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 18/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20014029 | 0.79 | ADORA2B (0.43) | ADORA2BADORA2AADORA1 | |
| SCHEMBL20014154 | 0.78 | ADORA2B (0.44) | ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL19994962 | 0.78 | ADORA2B (0.42) | ADORA2BADORA2AADORA1 | |
| SCHEMBL16637896 | 0.77 | ADORA2B (0.69) | ADORA2BERCC5FEN1ADORA2AADORA1 | |
| SCHEMBL18097606 | 0.76 | ADORA2B (0.61) | ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL18097812 | 0.74 | ADORA2B (0.65) | ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL20014925 | 0.72 | ADORA2B (0.41) | ADORA2BADORA2AADORA1 | |
| SCHEMBL19994358 | 0.72 | ADORA2B (0.43) | ADORA2BCYP1A2CYP3A4CYP2C8CYP2C9 | |
| SCHEMBL20015107 | 0.72 | ADORA2B (0.52) | ADORA2BADORA2AADORA1 | |
| SCHEMBL18096964 | 0.71 | ADORA2B (0.64) | ADORA2BERCC5FEN1ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |