Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28999529 | 0.81 | TACR1 (0.37) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL23901223 | 0.79 | SLC6A2 (0.33) | IDO1TDO2 | |
| SCHEMBL31391663 | 0.78 | TACR1 (0.39) | TACR1CA1CA2CA7CA9 | |
| SCHEMBL23901091 | 0.74 | ADRB2 (0.35) | IDO1TDO2 | |
| SCHEMBL11139289 | 0.74 | TSHR (0.54) | TSHRIDO1TDO2 | |
| SCHEMBL23901095 | 0.72 | JAK2 (0.41) | TACR1GAA | |
| SCHEMBL31391702 | 0.71 | DPP4 (0.31) | — | |
| SCHEMBL28999511 | 0.71 | DPP4 (0.31) | — | |
| SCHEMBL29870987 | 0.67 | MAOB (0.43) | TSHR | |
| SCHEMBL26428048 | 0.67 | MAOB (0.43) | TSHR |
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-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | 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 |