Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899771 | 0.80 | PARP1 (0.43) | DAORXFP1 | |
| Water SCHEMBL8182334 | 0.79 | PARP1 (0.42) | DAORXFP1 | |
| SCHEMBL54347 | 0.69 | HTR2A (0.70) | HTR2AALOX15HDAC3MAPK1ADRA1A | |
| SCHEMBL7819517 | 0.68 | DAO (0.50) | DAOHTR2AHRH3CES1NCEH1 | |
| SCHEMBL10354668 | 0.67 | HTR2A (0.67) | HTR2AALOX15HDAC3MAPK1ADRA1A | |
| SCHEMBL29268834 | 0.67 | HTR2A (0.67) | HTR2AALOX15HDAC3MAPK1ADRA1A | |
| SCHEMBL9069707 | 0.67 | HTR2A (0.75) | HTR2AIGF1RALOX15HDAC3MAPK1 | |
| SCHEMBL10831414 | 0.67 | HTR2A (0.67) | HTR2AALOX15HDAC3MAPK1ADRA1A | |
| Ammonia Solution, Strong SCHEMBL8817973 | 0.67 | HTR2A (0.67) | HTR2AALOX15HDAC3MAPK1ADRA1A | |
| SCHEMBL123539 | 0.66 | CYP1A2 (0.61) | HTR2AHRH3SIGMAR1MAOA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113952465-A | Camptothecin prodrug and preparation method and application thereof | 中国药科大学 | 2022-01-21 | — | — | CN | claimed |
| CN-113698859-A | High-weather-resistance polyurethane anticorrosive paint and preparation method thereof | 成都普瑞斯特新材料有限公司 | 2021-11-26 | — | — | CN | claimed |
| CN-108165295-A | A kind of liquid for oil refining process delayed coking increases income agent | 广昌达新材料技术服务（深圳）股份有限公司 | 2018-06-15 | — | — | CN | claimed |
| CN-115297861-A | Compound and use thereof | 福宏治疗公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-114652813-A | Macrocyclic peptides as immunomodulators | 百时美施贵宝公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-107108698-B | Macrocyclic peptides as immunomodulators | 百时美施贵宝公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-111757851-B | Microporous-mesoporous hierarchical zeolite material and preparation method and application thereof | 北京大学深圳研究生院 | 2022-03-18 | — | — | CN | disclosed |
| CN-113952465-A | Camptothecin prodrug and preparation method and application thereof | 中国药科大学 | 2022-01-21 | — | — | CN | disclosed |
| CN-113698859-A | High-weather-resistance polyurethane anticorrosive paint and preparation method thereof | 成都普瑞斯特新材料有限公司 | 2021-11-26 | — | — | CN | disclosed |
| CN-111757851-A | Microporous-mesoporous hierarchical zeolite material and preparation method and application thereof | 北京大学深圳研究生院 | 2020-10-09 | — | — | CN | disclosed |
| CN-108165295-A | A kind of liquid for oil refining process delayed coking increases income agent | 广昌达新材料技术服务（深圳）股份有限公司 | 2018-06-15 | — | — | CN | disclosed |