Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | COMT | P21964 | 9/20 | 0.56 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.53 |
| ▸ | PTPRC | P08575 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.53 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.53 |
| ▸ | PTPRJ | Q12913 | 1/20 | 0.53 |
| ▸ | DUSP26 | Q9BV47 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4461500 | 0.83 | COMT (0.64) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| SCHEMBL28461416 | 0.82 | KDM4E (0.63) | CYP1A2HIF1AHPGDALOX15HSD17B10 | |
| SCHEMBL9818532 | 0.81 | HSP90AA1 (0.66) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL94250 | 0.79 | HIF1A (0.64) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| SCHEMBL2981945 | 0.79 | COMT (0.66) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| SCHEMBL13921640 | 0.79 | COMT (0.66) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL29385217 | 0.79 | HIF1A (0.64) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| SCHEMBL22802119 | 0.79 | COMT (0.67) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid SCHEMBL8140547 | 0.78 | HIF1A (0.62) | CYP1A2HIF1AHPGDCOMTENPP2 | |
| SCHEMBL21333395 | 0.78 | KDM4E (0.66) | CYP1A2HIF1AHPGDCOMTALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5681832-A | FOR TREATMENT OF VIRAL DISEASES BY SUPPRESSING REPLICATION OF RETROVIRUSES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1997-10-28 | — | — | US | disclosed |
| WO-1996025399-A1 | NOVEL AROYLANILINE DERIVATIVES, COMPOSITIONS AND USES THEREOF IN THE TREATMENT OF VIRAL INFECTIONS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-08-22 | — | — | WO | disclosed |