Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28229888 | 0.80 | CA12 (0.50) | ALDH1A1GAAMEN1MAPTTHRB | |
| SCHEMBL6900844 | 0.79 | MEN1 (0.59) | ALDH1A1GAAKDM4EMEN1MAPT | |
| SCHEMBL12968543 | 0.77 | ALDH1A1 (0.57) | ALDH1A1GAAKDM4EMEN1MAPT | |
| SCHEMBL31460339 | 0.76 | CA12 (0.50) | ALDH1A1GAAMEN1MAPTTHRB | |
| SCHEMBL4431677 | 0.76 | CA12 (0.50) | ALDH1A1GAAMEN1MAPTTHRB | |
| SCHEMBL755578 | 0.76 | ALDH1A1 (0.53) | ALDH1A1GAAKDM4EMEN1MAPT | |
| SCHEMBL3548458 | 0.72 | ALOX15 (0.45) | ALDH1A1GAAMEN1MAPTKMT2A | |
| SCHEMBL35535 | 0.69 | ALDH1A1 (0.73) | ALDH1A1GAAKDM4EMEN1MAPT | |
| SCHEMBL6142004 | 0.69 | ALDH1A1 (0.73) | ALDH1A1GAAKDM4EMEN1MAPT | |
| SCHEMBL29362042 | 0.69 | ALDH1A1 (0.73) | ALDH1A1GAAKDM4EMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985266-B | Trifluoromethylthio reagent, preparation method and applications | 中国科学院上海有机化学研究所 | 2018-02-16 | — | — | CN | disclosed |
| 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 |