Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.51 |
| ▸ | MPO | P05164 | 11/20 | 0.50 |
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL15415702 | 0.86 | GPR84 (0.51) | GPR84MPOHTR2AHTR2CTRPM8 | |
| SCHEMBL29290918 | 0.81 | GPR84 (0.50) | GPR84HTR2ATRPM8SLC6A4 | |
| SCHEMBL3224553 | 0.77 | MPO (0.49) | GPR84MPOHTR2AHTR1AKMT2A | |
| SCHEMBL7584492 | 0.75 | GPR84 (0.51) | GPR84MPOHTR2AHTR2CTRPM8 | |
| SCHEMBL325102 | 0.73 | GPR84 (0.58) | GPR84MPOHTR2AHTR2CTRPM8 | |
| SCHEMBL13491426 | 0.73 | GPR84 (0.53) | GPR84MPOHTR2AHTR2CTRPM8 | |
| SCHEMBL20584073 | 0.72 | GPR84 (0.62) | GPR84MPOHTR2AHTR2CTRPM8 | |
| Dimethylformamide SCHEMBL27794949 | 0.72 | MPO (0.48) | GPR84MPOHTR2AKMT2ASLC6A4 | |
| SCHEMBL28091858 | 0.72 | GPR84 (0.54) | GPR84KMT2AKDM4E | |
| SCHEMBL25762360 | 0.71 | GPR84 (0.60) | GPR84MPOHTR2AHTR2CTRPM8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105985280-B | Difluoro methylthiolation reagent, preparation method and application | 深圳市中科邦奇氟医学材料有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-105646122-B | Compound, its preparation method and the application of a kind of methyl mercapto containing difluoro | 中国科学院上海有机化学研究所 | 2017-11-07 | — | — | CN | disclosed |
| CN-105985280-A | Difluoromethylthiolation 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 |
| CN-105646122-A | Compound containing difluoro methylthio groups and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2016-06-08 | — | — | CN | disclosed |