Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.52 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | NSD2 | O96028 | 2/20 | 0.30 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL5269880 | 0.78 | PARP1 (0.38) | DHFRSLC2A1PARP1ALDH1A1HSD17B10 | |
| SCHEMBL28373342 | 0.75 | TDP1 (0.42) | DHFRSLC2A1ALDH1A1TDP1TSHR | |
| SCHEMBL19135849 | 0.73 | DHFR (0.43) | DHFRSLC2A1KMT2A | |
| SCHEMBL26597053 | 0.70 | ALDH1A1 (0.40) | PARP1ALDH1A1HSD17B10HPGDTDP1 | |
| SCHEMBL14981557 | 0.70 | PARP1 (0.39) | DHFRSLC2A1PARP1ALDH1A1HSD17B10 | |
| SCHEMBL9541715 | 0.69 | DHFR (1.00) | DHFRSLC2A1 | |
| SCHEMBL9542139 | 0.69 | DHFR (0.50) | DHFRSLC2A1ALDH1A1HSD17B10HPGD | |
| SCHEMBL26597067 | 0.68 | ALKBH5 (0.41) | ALDH1A1HSD17B10HPGDTDP1CYP3A4 | |
| SCHEMBL26608101 | 0.66 | ALDH1A1 (0.35) | DHFRPARP1ALDH1A1HSD17B10HPGD | |
| SCHEMBL26634605 | 0.64 | ALDH1A1 (0.40) | DHFRALDH1A1HSD17B10HPGDTDP1 |
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-110770233-B | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-110770233-A | Fused bicyclic compound and application thereof in medicine | 广东东阳光药业有限公司 | 2020-02-07 | — | — | CN | disclosed |