Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD5 | P21918 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23291124 | 1.00 | CYP19A1 (0.51) | CYP19A1LOXL2CHRNA7TBXAS1PRKCZ | |
| SCHEMBL3127988 | 0.85 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKROCK1ROCK2 | |
| SCHEMBL31472893 | 0.85 | CYP19A1 (0.54) | CYP19A1LOXL2TBXAS1PRKCZMELK | |
| SCHEMBL5801109 | 0.85 | CYP19A1 (0.54) | CYP19A1LOXL2TBXAS1PRKCZMELK | |
| Hydrochloric Acid SCHEMBL29243533 | 0.83 | CYP19A1 (0.53) | CYP19A1LOXL2TBXAS1PRKCZMELK | |
| SCHEMBL27503273 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1PRKCZMELKROCK1 | |
| SCHEMBL3128985 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1MELKROCK1ROCK2 | |
| SCHEMBL6114451 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1 | |
| SCHEMBL31349743 | 0.81 | CYP19A1 (0.51) | CYP19A1TBXAS1 | |
| Hydrochloric Acid SCHEMBL6563371 | 0.80 | KDM4E (0.58) | TAAR1KDM4EADRA2AMAPTDRD2 |
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 |