Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | MAOA | P21397 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL17988774 | 1.00 | ESR1 (0.49) | ESR1ESR2MAOAMAOBUGT1A1 | |
| SCHEMBL17988772 | 0.88 | MAOA (0.61) | MAOAMAOBALDH1A1MAPTMEN1 | |
| SCHEMBL17988773 | 0.88 | MAOA (0.61) | MAOAMAOBALDH1A1MAPTMEN1 | |
| SCHEMBL12822339 | 0.85 | ESR1 (0.42) | ESR1ESR2MAOAMAOBUGT1A1 | |
| SCHEMBL12822280 | 0.85 | ESR1 (0.42) | ESR1ESR2MAOAMAOBUGT1A1 | |
| SCHEMBL17988775 | 0.83 | MAPT (0.44) | MAOAMAOBALDH1A1MAPTMEN1 | |
| SCHEMBL17988765 | 0.82 | MAOB (0.46) | MAOAMAOBALDH1A1MAPTMEN1 | |
| SCHEMBL17988770 | 0.82 | MAOB (0.46) | MAOAMAOBALDH1A1MAPTMEN1 | |
| SCHEMBL12833642 | 0.81 | TBXAS1 (0.57) | ESR1ESR2ALDH1A1MAPTMEN1 | |
| SCHEMBL12761935 | 0.81 | TBXAS1 (0.60) | ALDH1A1MAPTMEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9409879-B2 | Total synthesis of redox-active 1.4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistomicidal agents | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-08-09 | — | — | US | disclosed |