Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1066081 | 0.84 | CYP3A4 (0.42) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL28589703 | 0.81 | JAK2 (0.38) | ALDH1A1 | |
| SCHEMBL29503402 | 0.78 | CYP3A4 (0.46) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL106726 | 0.78 | CYP3A4 (0.46) | CYP3A4TSHRPIK3CAALDH1A1CD44 | |
| SCHEMBL28546786 | 0.77 | TSHR (0.31) | TSHR | |
| SCHEMBL30849833 | 0.75 | — | — | |
| SCHEMBL19251157 | 0.74 | NOS3 (0.37) | — | |
| SCHEMBL20805277 | 0.74 | BACE1 (0.30) | — | |
| SCHEMBL28499705 | 0.73 | ALDH1A1 (0.37) | TSHRALDH1A1 | |
| SCHEMBL29592069 | 0.72 | TAAR1 (0.33) | CYP3A4TSHRALDH1A1 |
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-2022099018-A1 | PROCESS OF PREPARING A PD-1/PD-L1 INHIBITOR | INCYTE CORPORATION (US) | 2022-05-12 | — | — | WO | disclosed |