Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.81 |
| ▸ | CASP4 | P49662 | 2/20 | 0.81 |
| ▸ | CASP5 | P51878 | 2/20 | 0.81 |
| ▸ | CASP7 | P55210 | 2/20 | 0.81 |
| ▸ | CASP9 | P55211 | 2/20 | 0.81 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.81 |
| ▸ | CASP10 | Q92851 | 2/20 | 0.81 |
| ▸ | ELANE | P08246 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | IL1B | P01584 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP2 | P42575 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 4/20 | 0.38 |
| ▸ | F2 | P00734 | 3/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Vrt 043198 SCHEMBL13928446 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| Vrt 043198 SCHEMBL3470537 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| Vrt 043198 SCHEMBL8279029 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| Vrt 043198 SCHEMBL30278640 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| Vrt 043198 SCHEMBL17969594 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| Vrt 043198 SCHEMBL20298437 | 1.00 | CASP1 (0.81) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL16883406 | 0.94 | CASP1 (0.71) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL13742740 | 0.94 | CASP1 (0.71) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL3469978 | 0.90 | CASP1 (0.66) | CASP1CASP4CASP5CASP7CASP9 | |
| SCHEMBL15459247 | 0.90 | CASP1 (1.00) | CASP1CASP4CASP5CASP7CASP9 |
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-9956260-B1 | Treatment of HIV-1 infection and AIDS | THE J. DAVID GLADSTONE INSTITUTES (US) | 2018-05-01 | — | — | US | disclosed |