Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.41 |
| ▸ | RIOK2 | Q9BVS4 | 4/20 | 0.41 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8736858 | 0.80 | MAPT (0.43) | ADRB1HTR3EHTR3BALDH1A1HTR3A | |
| SCHEMBL3216322 | 0.78 | HSD11B1 (0.50) | NCF1EPHX2ADRB2ADRB1ASIC3 | |
| SCHEMBL31587131 | 0.78 | HSD11B1 (0.50) | NCF1EPHX2ADRB2ADRB1ASIC3 | |
| SCHEMBL12017704 | 0.77 | ADRB2 (0.56) | NCF1EPHX2ADRB2ADRB1ASIC3 | |
| SCHEMBL17115170 | 0.77 | NCF1 (0.48) | NCF1EPHX2ADRB2NOTUMADRB1 | |
| Hydrochloric Acid SCHEMBL4424049 | 0.77 | MAPT (0.56) | NCF1EPHX2ADRB2NOTUMADRB1 | |
| SCHEMBL8737585 | 0.77 | HTR3A (0.56) | ADRB2ADRB1HTR3EHTR3BALDH1A1 | |
| SCHEMBL443520 | 0.77 | HTR3A (0.51) | NCF1EPHX2ADRB2ADRB1ASIC3 | |
| SCHEMBL5252902 | 0.77 | MAPT (0.52) | NCF1EPHX2ADRB2NOTUMADRB1 | |
| SCHEMBL28239089 | 0.77 | PHGDH (0.40) | NOTUM |
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-105143202-B | Dithiocarboxylic acid esters having spermicidal activity and process for their preparation | 科学与工业研究委员会 | 2018-08-14 | — | — | CN | disclosed |