Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.55 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.55 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL451894 | 0.93 | HDAC8 (0.56) | TBXAS1PLA2G10PLA2G2AHDAC8HDAC3 | |
| SCHEMBL28087116 | 0.89 | AKR1B10 (0.53) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL2772402 | 0.85 | TBXAS1 (0.71) | TBXAS1HDAC8HDAC3HDAC1HDAC2 | |
| SCHEMBL459101 | 0.85 | TBXAS1 (0.71) | TBXAS1HDAC8HDAC3HDAC1HDAC2 | |
| SCHEMBL28087042 | 0.83 | MAPT (0.61) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL27680047 | 0.83 | MAPT (0.61) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL20303734 | 0.82 | MAPT (0.67) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL3239009 | 0.82 | MAPT (0.67) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL20303732 | 0.82 | MAPT (0.67) | HDAC8HDAC3HDAC1HDAC2ESR1 | |
| SCHEMBL649508 | 0.82 | MAPT (0.67) | HDAC8HDAC3HDAC1HDAC2ESR1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108963389-B | Gelable system for lithium-air battery and preparation method and application thereof | 北京师范大学 | 2020-11-13 | — | — | CN | claimed |
| EP-1885352-A2 | COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS | Novartis AG (US) | 2008-02-13 | — | — | EP | claimed |
| WO-2006056399-A2 | COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-06-01 | — | — | WO | claimed |
| CN-110066281-B | Multi-target anti-tumor activity evodiamine derivative, and preparation method and application thereof | 中国人民解放军第二军医大学 | 2024-01-30 | — | — | CN | disclosed |
| CN-108962627-B | Organic system super capacitor or capacitance battery | 北京师范大学 | 2021-01-26 | — | — | CN | disclosed |
| CN-108963389-B | Gelable system for lithium-air battery and preparation method and application thereof | 北京师范大学 | 2020-11-13 | — | — | CN | disclosed |
| CN-110172056-A | New aminopyridine derivative | 诺华股份有限公司 | 2019-08-27 | — | — | CN | disclosed |
| CN-105452235-B | Substituted quinazoline-4-one derivatives | 诺华股份有限公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-110066281-A | Rutaecarpin derivative of multiple target point anti-tumor activity and the preparation method and application thereof | 中国人民解放军第二军医大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-110003192-A | Substituted amino-metadiazine compound and its application method and purposes | 广东东阳光药业有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-106458966-B | pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | 诺华股份有限公司 | 2019-05-07 | — | — | CN | disclosed |
| CN-105683181-B | Novel aminopyrimidine derivatives | 诺华股份有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-106458966-A | Pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | 诺华股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458979-A | Aminopyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | 诺华股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458980-A | Amino pyridine derivatives as phosphatidylinositol 3-kinase inhibitors | 诺华股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-104011045-B | Dihydrobenzoxazine and dihydropyridinooxazine derivatives | 诺华股份有限公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-1885352-A2 | COMBINATIONS COMPRISING JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS | Novartis AG (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006056399-A2 | COMBINATIONS OF JAK INHIBITORS AND AT LEAST ONE OF BCR-ABL, FLT-3, FAK OR RAF KINASE INHIBITORS | NOVARTIS AG (CH) | 2006-06-01 | — | — | WO | disclosed |