Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.46 |
| ▸ | HRH2 | P25021 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CKS1B | P61024 | 1/20 | 0.43 |
| ▸ | SKP1 | P63208 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28305508 | 0.88 | KDM4E (0.48) | TLR8CNR2POLBGPR119ACKR3 | |
| Pyrazine SCHEMBL28467340 | 0.81 | TLR8 (0.51) | TLR8CNR2POLBGPR119ACKR3 | |
| SCHEMBL8526096 | 0.81 | TLR8 (0.54) | TLR8CNR2ACKR3HRH2HRH1 | |
| SCHEMBL106768 | 0.81 | TLR8 (0.54) | TLR8CNR2ACKR3HRH2HRH1 | |
| 2-Aminopyridine SCHEMBL28443400 | 0.81 | GPR119 (0.55) | POLBGPR119CKS1BSKP1SKP2 | |
| SCHEMBL5714160 | 0.80 | ACKR3 (0.52) | POLBGPR119ACKR3EPHX2CHRM2 | |
| SCHEMBL29129466 | 0.80 | TLR8 (0.53) | TLR8CNR2ACKR3HRH2HRH1 | |
| 2-Aminopyridine SCHEMBL28404259 | 0.78 | GPR119 (0.53) | POLBGPR119CKS1BSKP1SKP2 | |
| SCHEMBL3954399 | 0.78 | THRB (0.58) | POLBGPR119ACKR3EPHX2CHRM2 | |
| SCHEMBL4543892 | 0.77 | TLR8 (0.55) | TLR8CNR2ACKR3EPHX2CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112920182-A | Preparation method of palbociclib | 上海天慈国际药业有限公司 | 2021-06-08 | — | — | CN | disclosed |