Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 4/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.53 |
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29798960 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1MAOBCHRM2MEN1 | |
| SCHEMBL30601913 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1MAOBCHRM2MEN1 | |
| SCHEMBL22777375 | 1.00 | TDP1 (0.58) | TDP1L3MBTL1MAOBCHRM2MEN1 | |
| SCHEMBL504643 | 0.98 | MAOB (0.56) | TDP1L3MBTL1MAOBCYP1A2CYP2C19 | |
| SCHEMBL30797187 | 0.93 | MAOB (0.55) | TDP1L3MBTL1MAOBCYP1A2CYP2C19 | |
| SCHEMBL314533 | 0.93 | MAOB (0.55) | TDP1L3MBTL1MAOBCYP1A2CYP2C19 | |
| SCHEMBL19429938 | 0.87 | MAOB (0.50) | TDP1L3MBTL1MAOBBCHEACHE | |
| SCHEMBL103036 | 0.85 | GLS (0.55) | TDP1L3MBTL1MAOBBCHEACHE | |
| SCHEMBL2604742 | 0.85 | TDP1 (0.75) | TDP1L3MBTL1CHRM2MEN1CYP1A2 | |
| SCHEMBL8862878 | 0.85 | TDP1 (0.75) | TDP1L3MBTL1CHRM2MEN1CYP1A2 |
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-116648240-A | Cyclic peptide virus protease inhibitor, preparation method thereof and application thereof in antiviral drugs | 中国人民解放军军事科学院军事医学研究院 | 2023-08-25 | — | — | CN | disclosed |
| CN-113943276-A | Nitrogen heterocyclic compound and application thereof | 武汉人福创新药物研发中心有限公司 | 2022-01-18 | — | — | CN | disclosed |