Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | TTR | P02766 | 2/20 | 0.55 |
| ▸ | F2 | P00734 | 3/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.53 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ATIC | P31939 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27719293 | 0.96 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL30304762 | 0.96 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL4323 | 0.96 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL29358913 | 0.96 | CA1 (0.63) | CA1CA2CA9TTRF2 | |
| SCHEMBL28045174 | 0.94 | CA1 (0.57) | CA1CA2CA9TTRF2 | |
| Methylamine SCHEMBL27535525 | 0.94 | CA1 (0.62) | CA1CA2CA9TTRF2 | |
| SCHEMBL27407101 | 0.94 | CA1 (0.57) | CA1CA2CA9TTRF2 | |
| SCHEMBL3841902 | 0.94 | CA1 (0.57) | CA1CA2CA9TTRF2 | |
| Phosphine SCHEMBL25249741 | 0.94 | CA1 (0.61) | CA1CA2CA9TTRF2 | |
| SCHEMBL1683965 | 0.94 | CA1 (0.61) | CA1CA2CA9TTRF2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116082357-A | Hexahydrofuro [2,3-b ] furan nicotine compound, and preparation method and application thereof | 南京工业大学 | 2023-05-09 | — | — | CN | disclosed |
| CN-109867623-B | 3-pyridyl-3-amino-2-cyanoacrylate compounds and preparation method and application thereof | 江苏省农药研究所股份有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-109704615-A | Pumping of prostressed duct agent, preparation method and grouting material | 深圳市红威达建材有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-109626890-A | High polymer rapid structural repairing material, preparation and construction method | 深圳市红威达建材有限公司 | 2019-04-16 | — | — | CN | disclosed |