Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23901091 | 0.80 | ADRB2 (0.35) | PARP1IDO1TDO2DPP4 | |
| SCHEMBL23901101 | 0.79 | TACR1 (0.39) | IDO1TDO2 | |
| SCHEMBL31391641 | 0.78 | PTGDR2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL23901224 | 0.78 | PTGDR2 (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL25833165 | 0.78 | PARP1 (0.42) | SLC6A2SLC6A4SLC6A3PARP1IDO1 | |
| SCHEMBL28999511 | 0.76 | DPP4 (0.31) | PARP1DPP4 | |
| SCHEMBL31391702 | 0.76 | DPP4 (0.31) | PARP1DPP4 | |
| SCHEMBL2867341 | 0.70 | PARP1 (0.37) | PARP1IDO1DPP4 | |
| SCHEMBL23901216 | 0.69 | MAPK1 (0.43) | — | |
| SCHEMBL8257350 | 0.68 | PARP1 (0.39) | PARP1IDO1 |
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-115916771-B | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2025-04-01 | — | — | CN | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |