Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
| ▸ | CTSC | P53634 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099297 | 0.77 | MIF (0.44) | MIFRAB9AKMT2A | |
| SCHEMBL4966557 | 0.71 | CYP2C19 (0.57) | CYP2C19TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL28135571 | 0.70 | MIF (0.50) | MIFRAB9AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL324034 | 0.68 | CYP2C19 (0.48) | CYP2C19TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL9022952 | 0.68 | CYP2C19 (0.48) | CYP2C19TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL8092464 | 0.67 | CES2 (0.31) | MIFCES2CES1KEAP1 | |
| SCHEMBL10390855 | 0.67 | — | — | |
| SCHEMBL3512988 | 0.66 | — | — | |
| SCHEMBL9379212 | 0.66 | CYP2C19 (0.46) | CYP2C19TAAR1ADRA2AADRA2BADRA2C | |
| SCHEMBL28195666 | 0.65 | ALDH1A1 (0.36) | CYP2C19MIFCTSCLMNARAB9A |
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-106518838-A | Synthesis of 2-thienylethyl isothiocyanate | 山东高洁环保科技有限公司 | 2017-03-22 | — | — | CN | claimed |