Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 6/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 6/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29903126 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2C19WNT3ATNKS2KMT2A | |
| SCHEMBL31661054 | 0.79 | PARP1 (0.35) | CYP1A2CYP2C19WNT3ATNKS2KMT2A | |
| SCHEMBL28499362 | 0.79 | CYP1A2 (0.34) | CYP1A2CYP2C19KMT2AGAAHTT | |
| SCHEMBL26010448 | 0.78 | KMT2A (0.36) | CYP1A2CYP2C19KMT2AGAA | |
| SCHEMBL19617362 | 0.75 | KMT2A (0.34) | CYP1A2CYP2C19KMT2AGAAHTT | |
| SCHEMBL26010294 | 0.75 | CYP1A2 (0.34) | CYP1A2CYP2C19KMT2AGAA | |
| SCHEMBL30050520 | 0.74 | KMT2A (0.30) | KMT2A | |
| SCHEMBL21777116 | 0.74 | KMT2A (0.38) | CYP1A2CYP2C19KMT2AGAAHTT | |
| SCHEMBL28503146 | 0.74 | KMT2A (0.31) | CYP1A2CYP2C19KMT2AGAA | |
| SCHEMBL27189839 | 0.74 | POLB (0.33) | KMT2AGAA |
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-4105211-A1 | PYRIMIDOHETEROCYCLIC COMPOUNDS AND APPLICATION THEREOF | D3 Bio(Wuxi) Co., Ltd. (CN) | 2022-12-21 | — | — | EP | disclosed |