Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9550142 | 0.88 | TSHR (0.45) | TDP1KDM4ECYP3A4CYP1A2CYP2C9 | |
| SCHEMBL8547117 | 0.82 | KMT2A (0.37) | KMT2APOLBTDP1KDM4ECTDSP1 | |
| SCHEMBL27621308 | 0.82 | TDP1 (0.39) | KMT2APOLBTDP1KDM4ECTDSP1 | |
| SCHEMBL27505005 | 0.79 | TDP1 (0.44) | KMT2APOLBTDP1KDM4ECTDSP1 | |
| SCHEMBL5182718 | 0.79 | TAS2R14 (0.40) | KMT2ATDP1CYP3A4MAPTMEN1 | |
| SCHEMBL30616318 | 0.78 | TSHR (0.47) | KMT2APOLBTDP1KDM4ECTDSP1 | |
| SCHEMBL21603504 | 0.77 | ALDH1A1 (0.48) | TDP1CYP3A4TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL667585 | 0.76 | TSHR (0.54) | KMT2APOLBTDP1KDM4ECTDSP1 | |
| SCHEMBL18300010 | 0.76 | EPAS1 (0.41) | KMT2ATDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27970876 | 0.76 | TAS2R14 (0.38) | TDP1CYP3A4LMNACES2TAS2R14 |
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-108191667-B | Preparation method of 2-nitro-4-trifluoromethyl methyl benzoate | 利尔化学股份有限公司 | 2021-03-26 | — | — | CN | disclosed |