Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9699947 | 0.87 | MCL1 (0.44) | PARP1ALOX15MAPK1CASP1CASP7 | |
| SCHEMBL15477730 | 0.85 | MCL1 (0.43) | PARP1CYP2D6CYP2B6POLBHTT | |
| SCHEMBL11903532 | 0.75 | KDM4E (0.41) | PARP1HSD17B10CYP2D6CYP2B6PARP2 | |
| SCHEMBL30666294 | 0.75 | KDM4E (0.39) | PARP1HSD17B10PARP2KDM4EALDH1A1 | |
| SCHEMBL5968286 | 0.75 | CREBBP (0.45) | MAPK1MCL1KDM4E | |
| SCHEMBL11081798 | 0.71 | MCL1 (0.41) | POLBMCL1KDM4EALDH1A1 | |
| SCHEMBL148615 | 0.70 | PARP1 (0.39) | PARP1ALOX15MAPK1CASP1CASP7 | |
| SCHEMBL11079196 | 0.70 | MCL1 (0.40) | MCL1KDM4EALDH1A1 | |
| SCHEMBL1514873 | 0.70 | HPD (0.44) | CASP1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL7866000 | 0.70 | MEN1 (0.46) | ALOX15HTTMCL1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016086153-A2 | USE OF TETRAHYDRO!NDAZOLYLBEIMZAMIDE AND TETRAHYDROINDOLYLBENZAMIDE DERIVATIVES FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) | ESANEX, INC. (US) | 2016-06-02 | — | — | WO | disclosed |