Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HMGCR | P04035 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24971324 | 0.81 | HSD17B10 (0.39) | HSP90AA1HSP90AB1HSD17B10KDM4EHMGCR | |
| SCHEMBL179446 | 0.80 | HSD17B10 (0.55) | HSP90AA1HSP90AB1HSD17B10KDM4EKMT2A | |
| SCHEMBL20049884 | 0.77 | TLR8 (0.36) | HSP90AA1HSP90AB1HSD17B10SMN1; SMN2 | |
| SCHEMBL19726912 | 0.74 | TLR8 (0.36) | HSP90AA1HSP90AB1HSD17B10SMN1; SMN2 | |
| SCHEMBL18879258 | 0.70 | NPC1 (0.36) | SMN1; SMN2 | |
| SCHEMBL19593060 | 0.70 | NPC1 (0.35) | SMN1; SMN2 | |
| SCHEMBL1427693 | 0.70 | — | — | |
| SCHEMBL14327694 | 0.69 | HMGCR (0.46) | HSD17B10HMGCR | |
| SCHEMBL218379 | 0.68 | HRH3 (0.46) | SMN1; SMN2KMT2A | |
| SCHEMBL18879260 | 0.68 | NUDT1 (0.47) | HSP90AA1KDM4EALDH1A1 |
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-9655892-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-05-23 | — | — | US | disclosed |