Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDYL | Q9Y232 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CDC25A | P30304 | 1/20 | 0.43 |
| ▸ | CDC25C | P30307 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.42 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27857297 | 0.85 | TDP1 (0.56) | CDYLKDM4EMTNR1ATDP1PTPN1 | |
| Ethyl Acetate SCHEMBL28813951 | 0.81 | TDP1 (0.71) | KMT2AKDM4EALDH1A1HPGDCDC25B | |
| SCHEMBL6989892 | 0.80 | CDYL (0.53) | CDYLKMT2AKDM4EALDH1A1MTNR1A | |
| Phenanthrene SCHEMBL28332300 | 0.80 | ALDH1A1 (0.54) | KMT2AKDM4EALDH1A1HPGDCDC25B | |
| SCHEMBL29756497 | 0.79 | CYP1A2 (0.54) | MTNR1ATDP1PTPN1 | |
| SCHEMBL217557 | 0.79 | CYP1A2 (0.54) | MTNR1ATDP1PTPN1 | |
| Ethyl Acetate SCHEMBL27934098 | 0.79 | ALDH1A1 (0.51) | KMT2AKDM4EALDH1A1HPGDCDC25B | |
| SCHEMBL7808904 | 0.79 | CDYL (0.63) | CDYLKMT2AKDM4EALDH1A1MTNR1A | |
| SCHEMBL2302173 | 0.78 | CYP4F2 (0.69) | CDYLKMT2AKDM4EALDH1A1HPGD | |
| Fluoride SCHEMBL27772173 | 0.78 | CYP1A2 (0.52) | MTNR1ATDP1PTPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101076531-A | Carboxylic acid peri-substituted bicyclics for occlusive artery disease | DECODE CHEMISTRY INC (US) | 2007-11-21 | — | — | CN | disclosed |