Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.58 |
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28250642 | 0.99 | ADRB2 (0.57) | ADRB2NCF1KCNH2ROCK2ROCK1 | |
| SCHEMBL28284100 | 0.85 | ADRB2 (0.55) | ADRB2NCF1KCNH2PDGFRBDRD2 | |
| Hydrochloric Acid SCHEMBL28175073 | 0.84 | ADRB2 (0.53) | ADRB2NCF1KCNH2PDGFRBDRD2 | |
| SCHEMBL22755427 | 0.84 | ADRB2 (0.63) | ADRB2NCF1KCNH2PDGFRBCNR2 | |
| SCHEMBL27666031 | 0.82 | ADRB2 (0.51) | ADRB2NCF1KCNH2PDGFRB | |
| SCHEMBL28250634 | 0.82 | ADRB2 (0.51) | ADRB2NCF1KCNH2PDGFRBDRD2 | |
| SCHEMBL19555592 | 0.81 | CHRM4 (0.59) | NCF1ROCK2ROCK1CDC42BPBHRH4 | |
| SCHEMBL4018098 | 0.81 | NCF1 (0.63) | ADRB2NCF1KCNH2ROCK2ROCK1 | |
| SCHEMBL28251236 | 0.81 | NCF1 (0.63) | ADRB2NCF1KCNH2PDGFRBDRD2 | |
| SCHEMBL21173533 | 0.79 | CKS1B (0.56) | ADRB2NCF1PDGFRBDRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699032-B | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |