Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL21027633 | 0.77 | KDM4E (0.56) | KDM4EALDH1A1GPR84IMPDH2IDO1 | |
| SCHEMBL28099029 | 0.75 | KDM4E (0.50) | KDM4EALDH1A1GPR84IMPDH2IDO1 | |
| SCHEMBL10221867 | 0.73 | KDM4E (0.55) | KDM4EALDH1A1GPR84IMPDH2HTR2A | |
| SCHEMBL18474677 | 0.73 | IMPDH2 (0.58) | KDM4EALDH1A1GPR84IMPDH2IDO1 | |
| SCHEMBL6020783 | 0.72 | KDM4E (0.48) | KDM4EALDH1A1GPR84IMPDH2HTT | |
| SCHEMBL13548601 | 0.72 | KDM4E (0.48) | KDM4EALDH1A1GPR84IMPDH2IDO1 | |
| SCHEMBL29084453 | 0.71 | KDM4E (0.50) | KDM4EALDH1A1GPR84IMPDH2IDO1 | |
| Hydrochloric Acid SCHEMBL11708514 | 0.71 | ALDH1A1 (0.60) | KDM4EALDH1A1GPR84IDO1HTR2A | |
| SCHEMBL14418728 | 0.71 | KDM4E (0.57) | KDM4EALDH1A1GPR84HTR2ANPSR1 | |
| Toluene SCHEMBL28715849 | 0.70 | KDM4E (0.53) | KDM4EALDH1A1GPR84IMPDH2IDO1 |
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-109503436-B | Difluoromethylthio reagent and preparation method and application thereof | 南京理工大学 | 2021-03-26 | — | — | CN | disclosed |