Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29366129 | 0.72 | ALDH1A1 (1.00) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL52405 | 0.72 | ALDH1A1 (1.00) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL11202867 | 0.71 | ALDH1A1 (0.41) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL30003417 | 0.71 | KDM4E (0.74) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL14349080 | 0.71 | KDM4E (0.74) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL757747 | 0.70 | KDM4E (0.82) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| Iodide SCHEMBL5967814 | 0.70 | ALDH1A1 (0.94) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL8859782 | 0.70 | ALDH1A1 (0.82) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL30660758 | 0.69 | KDM4E (0.79) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB | |
| SCHEMBL755681 | 0.69 | KDM4E (0.79) | KDM4EALDH1A1SMN1; SMN2MAPK1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11056388-A | — | — | None | — | — | JP | disclosed |
| CN-103534238-A | Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics | CENTRE NAT RECH SCIENT | 2014-01-22 | — | — | CN | disclosed |
| JP-H1156388-A | PRODUCTION OF OPTICALLY ACTIVE PHENOL | TAKEDA CHEM IND LTD | 1999-03-02 | — | — | JP | disclosed |
| CN-87100723-A | Quinone derivative, their preparation and use | — | 1987-09-16 | — | — | CN | disclosed |