Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM6B | O15054 | 2/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.51 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.43 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 2/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15636197 | 0.91 | KDM6B (0.54) | KDM6BKDM4CCISD1APEX1HCAR3 | |
| SCHEMBL13073780 | 0.87 | ALDH1A1 (0.49) | APEX1HCAR3KEAP1METAP2KDM4E | |
| SCHEMBL25513638 | 0.84 | KDM4C (0.51) | KDM4CCISD1APEX1KEAP1KDM4E | |
| SCHEMBL6681562 | 0.83 | APEX1 (0.44) | KDM6BKDM4CCISD1APEX1KEAP1 | |
| SCHEMBL17938288 | 0.82 | HCAR3 (0.62) | KDM6BKDM4CCISD1APEX1HCAR3 | |
| SCHEMBL15635498 | 0.81 | MPO (0.49) | KDM4CAPEX1KEAP1METAP2KDM4E | |
| SCHEMBL15635660 | 0.81 | APEX1 (0.72) | KDM6BKDM4CCISD1APEX1HCAR3 | |
| SCHEMBL15639856 | 0.81 | KDM4E (0.59) | KDM6BKDM4CCISD1APEX1HCAR3 | |
| SCHEMBL5712355 | 0.81 | PTPRC (0.55) | KDM6BKDM4CCISD1APEX1HCAR3 | |
| SCHEMBL3888815 | 0.80 | LIPC (0.63) | KDM6BKDM4CCISD1APEX1KDM4E |
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-5543550-A | NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |