Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13245283 | 0.82 | TSHR (0.39) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL13245284 | 0.76 | TAS1R3 (0.34) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21156715 | 0.75 | NPSR1 (0.37) | POLB | |
| SCHEMBL13245165 | 0.73 | MMP1 (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL24408091 | 0.72 | — | — | |
| SCHEMBL13245162 | 0.71 | TSHR (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL21658675 | 0.68 | — | — | |
| SCHEMBL19962812 | 0.68 | — | — | |
| SCHEMBL4993792 | 0.68 | FOLH1 (0.37) | CA12CA1CA2MMP1MMP2 | |
| SCHEMBL351018 | 0.68 | KDM5B (0.37) | TSHR |
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-9951058-B2 | Compound, pharmaceutically acceptable salt or optical isomer thereof, method for preparing the same, and pharmaceutical composition for prevention or treatment of viral diseases containing same as active ingredient | KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R & D (BE) | 2018-04-24 | — | — | US | disclosed |