Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4423669 | 1.00 | HRH1 (0.50) | HRH1HTR2ALOXL2CYP2A6SMN1; SMN2 | |
| SCHEMBL27706642 | 0.87 | ADRB2 (0.60) | LOXL2CYP2A6SMN1; SMN2TAAR1CA12 | |
| SCHEMBL30083578 | 0.85 | ADRB2 (0.62) | LOXL2CYP2A6SMN1; SMN2TAAR1CA12 | |
| SCHEMBL505581 | 0.85 | ADRB2 (0.62) | LOXL2CYP2A6SMN1; SMN2TAAR1CA12 | |
| SCHEMBL2344310 | 0.84 | CYP1A2 (0.58) | CYP2A6SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL14268241 | 0.83 | BRS3 (0.50) | CYP2A6SMN1; SMN2CA12CA1CA2 | |
| Ammonia Solution, Strong SCHEMBL3722160 | 0.83 | ADRB2 (0.60) | LOXL2CYP2A6SMN1; SMN2TAAR1CA12 | |
| Hydrochloric Acid SCHEMBL31682452 | 0.83 | ADRB2 (0.60) | LOXL2CYP2A6SMN1; SMN2TAAR1CA12 | |
| SCHEMBL1138773 | 0.81 | HCAR2 (0.50) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL1129824 | 0.81 | CYP1A2 (0.47) | CYP2A6SMN1; SMN2CA12CA1CA2 |
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-111164084-B | Triazolotriazine derivatives useful as A2A receptor antagonists | 浙江春禾医药科技有限公司 | 2023-05-23 | — | — | CN | disclosed |