Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 7/20 | 0.35 |
| ▸ | EDNRB | P24530 | 4/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28560992 | 0.74 | ALDH1A1 (0.41) | KMT2ASIRT1CA1CA2CA7 | |
| SCHEMBL28523565 | 0.73 | KMT2A (0.44) | KMT2ACA1CA2CA7CA9 | |
| SCHEMBL727644 | 0.73 | CFTR (0.40) | KMT2ACYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL28777828 | 0.71 | EDNRA (0.45) | KMT2AEDNRAEDNRB | |
| SCHEMBL29017673 | 0.71 | EDNRB (0.43) | KMT2ACA1CA2CA7CA9 | |
| SCHEMBL28763488 | 0.71 | GAA (0.40) | KMT2ASIRT1NPSR1EDNRAEDNRB | |
| SCHEMBL11111518 | 0.69 | PDK2 (0.43) | KMT2ASIRT1CA1CA2CA7 | |
| SCHEMBL11109912 | 0.69 | PDK2 (0.51) | KMT2ACA1CA2CA7CA9 | |
| SCHEMBL28921922 | 0.68 | CA1 (0.44) | KMT2ASIRT1CA1CA2CA7 | |
| Benzoic Acid SCHEMBL28982995 | 0.67 | GAA (0.43) | KMT2ACYP3A4CYP2C9CYP1A2CYP2C19 |
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-1726958-A | Chinese material medica preparation in use for treating infection of influenza virus, and preparation method | TIANJIN MEDICINES INST (CN) | 2006-02-01 | — | — | CN | claimed |
| CN-113230367-A | Traditional Chinese medicine for treating tumor and preparation method thereof | 湖州草本连生物科技有限公司 | 2021-08-10 | — | — | CN | disclosed |
| CN-100421685-C | Chinese material medica preparation in use for treating infection of influenza virus, and preparation method | TIANJIN MEDICINES INST (CN) | 2008-10-01 | — | — | CN | disclosed |
| CN-1726958-A | Chinese material medica preparation in use for treating infection of influenza virus, and preparation method | TIANJIN MEDICINES INST (CN) | 2006-02-01 | — | — | CN | disclosed |