Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28312974 | 0.75 | CYP19A1 (0.39) | CYP19A1MAOAMAOBKDM4EALDH1A1 | |
| SCHEMBL27600673 | 0.73 | CYP19A1 (0.46) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL28312947 | 0.72 | CYP19A1 (0.48) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL3297839 | 0.70 | NFE2L2 (0.42) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| Benzene SCHEMBL28086974 | 0.70 | CYP19A1 (0.59) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL11510148 | 0.70 | CYP19A1 (0.59) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL6303895 | 0.70 | CYP19A1 (0.59) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL6303896 | 0.70 | CYP19A1 (0.59) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL11510146 | 0.70 | CYP19A1 (0.59) | CYP19A1MAOAMAOBTRPA1NFE2L2 | |
| SCHEMBL24668541 | 0.69 | CYP19A1 (0.53) | CYP19A1MAOAMAOBTRPA1NFE2L2 |
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-105934435-B | Compounds useful as inhibitors of ATR kinase, preparation thereof, and radiolabeled derivatives thereof | 沃泰克斯药物股份有限公司 | 2019-02-22 | — | — | CN | disclosed |