Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | AGER | Q15109 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17137317 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL27986527 | 0.79 | KDM4E (0.36) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL24394629 | 0.74 | BRD4 (0.46) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL27735833 | 0.71 | ALDH1A1 (0.47) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL18093538 | 0.68 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL18402598 | 0.67 | KDM4E (0.43) | ALDH1A1KDM4EMAPTTDP1CA12 | |
| SCHEMBL776304 | 0.67 | HTR6 (0.46) | ALDH1A1KDM4ETDP1CA12CA9 | |
| SCHEMBL8423241 | 0.65 | GAA (0.52) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL891138 | 0.64 | GAA (0.80) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL6363024 | 0.64 | GAA (0.56) | ALDH1A1KDM4ETDP1GAACA12 |
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-103373911-B | Single fluoro cyclopropanes compound and its preparation method and application | 中国科学院上海有机化学研究所 | 2016-12-14 | — | — | CN | disclosed |
| CN-104119246-A | Cyclopropane derivatives, and preparation method and application thereof | SHANGHAI INST ORGANIC CHEM | 2014-10-29 | — | — | CN | disclosed |