Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TEK | Q02763 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4726729 | 0.92 | ALDH1A1 (0.68) | HPGDALDH1A1NPY5RRORCPOLB | |
| SCHEMBL27905505 | 0.86 | HPGD (0.52) | HPGDALDH1A1NPY5RRORCKDM4E | |
| SCHEMBL7665546 | 0.85 | ALDH1A1 (0.46) | HPGDALDH1A1NPY5RPOLBHTT | |
| Thiosemicarbazide SCHEMBL28054001 | 0.81 | ALDH1A1 (0.55) | HPGDALDH1A1NPY5RRORCPOLB | |
| SCHEMBL28121877 | 0.79 | KDM4E (0.61) | HPGDALDH1A1NPY5RPOLBHTT | |
| SCHEMBL29643278 | 0.78 | MEN1 (0.55) | HPGDALDH1A1NPY5RRORCPOLB | |
| SCHEMBL4726929 | 0.78 | KDM4E (0.69) | HPGDALDH1A1NPY5RRORCPOLB | |
| SCHEMBL4727525 | 0.78 | MEN1 (0.55) | HPGDALDH1A1NPY5RRORCPOLB | |
| SCHEMBL4728865 | 0.77 | ATM (0.55) | HPGDALDH1A1RORCPOLBHTT | |
| SCHEMBL7976974 | 0.77 | NPY5R (0.50) | HPGDALDH1A1NPY5RRORCKDM4E |
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-2008021745-A2 | HEPATITIS C VIRUS ENTRY INHIBITORS | ITHERX PHARMACEUTICALS, INC. (US) | 2008-02-21 | — | — | WO | disclosed |