Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 3/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26795931 | 0.83 | GHSR (0.44) | APPCA1CA2CA7CA13 | |
| SCHEMBL20118701 | 0.81 | APP (0.41) | APPCA1CA2CA7CA13 | |
| SCHEMBL20118834 | 0.81 | KCNN3 (0.45) | APPCA1CA2CA7CA13 | |
| SCHEMBL23598986 | 0.73 | CA1 (0.58) | CA1CA2CA7CA13CA9 | |
| SCHEMBL20118828 | 0.72 | HSP90AA1 (0.35) | CA1CA2CA7CA13ALDH1A1 | |
| SCHEMBL23598969 | 0.70 | SMN1; SMN2 (0.50) | APPALDH1A1HTTSMN1; SMN2KMT2A | |
| SCHEMBL2456028 | 0.70 | CA1 (0.60) | APPCA1CA2NPC1BRD4 | |
| SCHEMBL21416297 | 0.68 | CCNE2 (0.51) | APPEGFRNPC1HTT | |
| SCHEMBL3391705 | 0.68 | APP (0.61) | APPEGFRNPC1ALDH1A1HTT | |
| SCHEMBL23599339 | 0.68 | CA1 (0.59) | CA1CA2CA7CA13CA9 |
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 |