Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17629945 | 0.81 | VCAM1 (0.47) | MAPTNPC1PKMVCAM1GAA | |
| SCHEMBL17630181 | 0.81 | VCAM1 (0.42) | MAPTNPC1PKMVCAM1GLA | |
| SCHEMBL17629905 | 0.79 | GAA (0.41) | MAPTNPC1PKMVCAM1GLA | |
| SCHEMBL17630044 | 0.78 | KDM1A (0.41) | MAPTKDM1AKCNH2PTPN11CYP11B2 | |
| SCHEMBL17629867 | 0.78 | PTPN11 (0.43) | KDM1APTPN11CYP11B2CYP2A6 | |
| SCHEMBL17629991 | 0.78 | GAA (0.41) | MAPTNPC1PKMRAB9AVCAM1 | |
| SCHEMBL17630051 | 0.77 | GAA (0.46) | MAPTNPC1PKMVCAM1GLA | |
| SCHEMBL4725911 | 0.76 | VCAM1 (0.42) | MAPTNPC1PKMVCAM1GLA | |
| SCHEMBL18449675 | 0.73 | MAPT (0.52) | MAPTNPC1PKMRAB9AVCAM1 | |
| SCHEMBL14988218 | 0.72 | MAPT (0.48) | MAPTNPC1PKMRAB9AVCAM1 |
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-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |