Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MPL | P40238 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL330603 | 0.98 | TSHR (0.56) | TSHRCYP3A4PIK3CAALDH1A1TAS2R14 | |
| SCHEMBL27390124 | 0.83 | CYP3A4 (0.54) | TSHRCYP3A4PIK3CAALDH1A1MPL | |
| SCHEMBL6630838 | 0.81 | TAS2R14 (0.46) | ALDH1A1TAS2R14NOTUMMPLDHODH | |
| SCHEMBL8165870 | 0.81 | CYP3A4 (0.52) | TSHRCYP3A4PIK3CAALDH1A1MPL | |
| SCHEMBL27749301 | 0.80 | ESR1 (0.43) | TSHRCYP3A4PIK3CAALDH1A1TAS2R14 | |
| SCHEMBL9016041 | 0.78 | CYP3A4 (0.48) | TSHRCYP3A4PIK3CAALDH1A1CD44 | |
| SCHEMBL8173503 | 0.77 | CYP3A4 (0.59) | TSHRCYP3A4PIK3CAALDH1A1CD44 | |
| SCHEMBL29871801 | 0.77 | CYP3A4 (0.59) | TSHRCYP3A4PIK3CAALDH1A1CD44 | |
| SCHEMBL5163816 | 0.77 | CYP3A4 (0.59) | TSHRCYP3A4PIK3CAALDH1A1CD44 | |
| SCHEMBL27277801 | 0.76 | CYP3A4 (0.46) | TSHRCYP3A4PIK3CAALDH1A1CD44 |
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-108911989-A | A kind of synthetic method of 2- methyl-3-trifluoromethyl phenylamine | 济南悟通生物科技有限公司 | 2018-11-30 | — | — | CN | disclosed |
| CN-208022931-U | A kind of synthesis 2- methyl-3-trifluoromethyl phenylamine devices | 济南悟通生物科技有限公司 | 2018-10-30 | — | — | CN | disclosed |