Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23247188 | 1.00 | AKR1C3 (0.47) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL4668901 | 0.86 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL30307832 | 0.86 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL4668904 | 0.86 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL4668899 | 0.86 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL23538793 | 0.86 | AKR1C3 (0.48) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL2723382 | 0.82 | CHRNB2 (0.56) | AKR1C3FAAHHDAC1CHRNB2CHRNA4 | |
| SCHEMBL16872560 | 0.82 | CHRNB2 (0.56) | AKR1C3FAAHHDAC1CHRNB2CHRNA4 | |
| SCHEMBL1017691 | 0.82 | AKR1C3 (0.45) | AKR1C3FAAHDRD2DRD4DRD3 | |
| SCHEMBL23247148 | 0.80 | AKR1C3 (0.43) | AKR1C3CHRNB2CHRNA4 |
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-2021074251-A1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | SENTINEL ONCOLOGY LIMITED (GB) | 2021-04-22 | — | — | WO | disclosed |