Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780106 | 0.84 | CPT2 (0.43) | NPC1ENPP2ATXN2TRAP1HSP90B1 | |
| SCHEMBL21845107 | 0.73 | PARP10 (0.48) | NPC1MEN1KMT2AMAPTGAA | |
| SCHEMBL21780048 | 0.71 | AOC2 (0.52) | MAOB | |
| SCHEMBL21780093 | 0.69 | HPGD (0.50) | NPC1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL21780098 | 0.69 | HPGD (0.50) | NPC1HPGDMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30089453 | 0.68 | MAOB (0.56) | ENPP2ATXN2TRAP1HSP90B1HPGD | |
| SCHEMBL21768167 | 0.68 | MAOB (0.56) | ENPP2ATXN2TRAP1HSP90B1HPGD | |
| Trifluoroacetic Acid SCHEMBL21768119 | 0.67 | AOC2 (0.48) | MAOB | |
| SCHEMBL28901210 | 0.66 | AOC2 (0.42) | NPC1ENPP2ATXN2TSHRMAPT | |
| Trifluoroacetic Acid SCHEMBL30089479 | 0.65 | HPGD (0.45) | NPC1HPGDMEN1KMT2ASMN1; SMN2 |
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 |