Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780130 | 0.87 | KMT2A (0.47) | HSP90AA1HSP90AB1HPGDALDH1A1MEN1 | |
| SCHEMBL21780098 | 0.83 | HPGD (0.50) | NPC1HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| SCHEMBL21780093 | 0.83 | HPGD (0.50) | NPC1HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL30089479 | 0.81 | HPGD (0.45) | NPC1HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL30089487 | 0.81 | HPGD (0.45) | NPC1HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| Trifluoroacetic Acid SCHEMBL30089447 | 0.81 | HPGD (0.45) | NPC1HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| SCHEMBL21780085 | 0.78 | CA1 (0.40) | SMN1; SMN2HTTLMNAPRMT5WDR77 | |
| SCHEMBL24147661 | 0.73 | EGLN2 (0.41) | — | |
| SCHEMBL21780057 | 0.72 | AOC2 (0.41) | NPC1SMN1; SMN2HPGDALDH1A1LMNA | |
| SCHEMBL22725877 | 0.72 | AOC3 (0.65) | DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3617186-A1 | FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2020-03-04 | — | — | EP | disclosed |