Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.44 |
| ▸ | HNF4A | P41235 | 2/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7561256 | 0.79 | ALOX5 (0.61) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL15190516 | 0.79 | ALOX5 (0.61) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL20880025 | 0.77 | KDM4E (0.46) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL29788344 | 0.74 | ALDH1A1 (0.41) | KDM4EALDH1A1LMNAMAPTHPGD | |
| SCHEMBL3542339 | 0.74 | ALDH1A1 (0.41) | KDM4EALDH1A1LMNAMAPTHPGD | |
| SCHEMBL6271472 | 0.74 | ALOX5 (0.55) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL3548458 | 0.72 | ALOX15 (0.45) | MEN1ALDH1A1LMNAHSP90AA1GAA | |
| SCHEMBL28828308 | 0.72 | ALOX5 (0.76) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL27546220 | 0.72 | HSD17B1 (0.60) | ALOX5KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL29848221 | 0.69 | ALOX5 (1.00) | ALOX5KDM4EMEN1USP2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105985266-A | Trifluoromethylthiolation reagent, and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-10-05 | — | — | CN | disclosed |