Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | HPGD | P15428 | 3/20 | 0.30 |
| ▸ | RECQL | P46063 | 3/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | G6PD | P11413 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | NSD2 | O96028 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23027450 | 0.79 | HTR1A (0.36) | — | |
| SCHEMBL29438009 | 0.73 | ESR1 (0.34) | TP53CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL9900562 | 0.73 | ESR1 (0.34) | TP53CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL15011718 | 0.71 | HTR1A (0.36) | TP53CYP1A2ESR1ESR2KDM4E | |
| SCHEMBL22650791 | 0.70 | PTGS1 (0.36) | — | |
| SCHEMBL10440177 | 0.69 | PTGS2 (0.37) | — | |
| SCHEMBL23027466 | 0.68 | ALDH1A1 (0.36) | CYP1A2KDM4EMAPTALDH1A1CYP3A4 | |
| SCHEMBL24992797 | 0.66 | FDPS (0.36) | CYP1A2MAPTHPGDCYP3A4TSHR | |
| SCHEMBL19683582 | 0.66 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL23027374 | 0.66 | CYP1A2 (0.40) | TP53CYP1A2KDM4EL3MBTL1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |