Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1719653 | 0.83 | KDM4E (0.61) | KDM4EPARP1KMT2ALMNAMEN1 | |
| SCHEMBL27922028 | 0.82 | KEAP1 (0.51) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL3834191 | 0.81 | MYC (0.53) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL3837345 | 0.80 | MYC (0.47) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL27710545 | 0.79 | KEAP1 (0.49) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL3834194 | 0.79 | KDM4E (0.54) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| 1,2-Dichlorobenzene SCHEMBL27708578 | 0.78 | KDM4E (0.59) | KDM4EPARP1KMT2ALMNAMEN1 | |
| SCHEMBL21590178 | 0.78 | MYC (0.57) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL3837350 | 0.78 | KDM4E (0.49) | KDM4EKEAP1NFE2L2PARP1KMT2A | |
| SCHEMBL8664638 | 0.77 | KDM4E (0.41) | KDM4EMAPTALDH1A1TSHRCD38 |
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-104829485-B | A kind of platelet aggregation-against drug candidate PN531 preparation method and application | 天津理工大学 | 2017-12-12 | — | — | CN | claimed |
| CN-104829485-A | Preparation method and applications of anti-platelet aggregation candidate drug PN531 | UNIV TIANJIN TECHNOLOGY | 2015-08-12 | — | — | CN | disclosed |