Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20118838 | 0.81 | APP (0.52) | APPCA1CA2CA7CA13 | |
| SCHEMBL20118701 | 0.78 | APP (0.41) | APPCA1CA2CA7CA13 | |
| SCHEMBL26795931 | 0.77 | GHSR (0.44) | APPCA1CA2CA7CA13 | |
| SCHEMBL18012472 | 0.69 | KDR (0.55) | KCNN3APPKDRVNN1CTNNB1 | |
| SCHEMBL21416297 | 0.68 | CCNE2 (0.51) | APP | |
| SCHEMBL3391705 | 0.68 | APP (0.61) | APPHDAC1 | |
| SCHEMBL3110555 | 0.67 | APP (0.71) | APPCTNNB1TCF7L2 | |
| SCHEMBL6211578 | 0.67 | KCNN3 (0.46) | KCNN3APPKDRVNN1CTNNB1 | |
| SCHEMBL18696347 | 0.67 | ABL1 (0.52) | CA1CA2CA7CA13KDR | |
| SCHEMBL18696314 | 0.66 | ABL1 (0.52) | KDR |
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-2018079988-A1 | COMPOUND USEFUL AS TRAP1 INHIBITOR, AND ANTICANCER COMPOSITION CONTAINING SAME | 울산과학기술원 | 2018-05-03 | — | — | WO | disclosed |