Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.36 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HRAS | P01112 | 1/20 | 0.35 |
| ▸ | GLP1R | P43220 | 1/20 | 0.34 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27261746 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRNOTUMCYP3A4 | |
| SCHEMBL27895758 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRCYP3A4HIF1A | |
| SCHEMBL1026141 | 0.79 | GPR35 (0.41) | ALDH1A1TDP1TSHRNOTUMCYP3A4 | |
| SCHEMBL27856588 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL10493788 | 0.78 | TSHR (0.48) | ALDH1A1TDP1TSHRCYP3A4HPGD | |
| SCHEMBL7784706 | 0.77 | ALDH1A1 (0.56) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL3309493 | 0.76 | TDP1 (0.47) | ALDH1A1TDP1TSHRNOTUMCYP3A4 | |
| SCHEMBL3860827 | 0.76 | TSHR (0.54) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL2143287 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL9546820 | 0.75 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102491901-B | Preparation method of 4-bromine-2-nitro trifluoromethyl benzene | DALIAN QIKAI MEDICAL TECHNOLOGY CO LTD | 2013-12-18 | — | — | CN | claimed |
| CN-109970602-B | Synthetic method of p-trifluoromethyl benzonitrile compound | 北京颖泰嘉和生物科技股份有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-102491901-B | Preparation method of 4-bromine-2-nitro trifluoromethyl benzene | DALIAN QIKAI MEDICAL TECHNOLOGY CO LTD | 2013-12-18 | — | — | CN | disclosed |
| CN-102952039-A | Synthesis method of 4-chloro-2-trifluoromethylbenzonitrile | DALIAN JOIN KING BIOLOG CHEMICAL TECHNOLOGY CO LTD | 2013-03-06 | — | — | CN | disclosed |
| EP-0155441-B1 | A PROCESS FOR SEPARATING NITRATION ISOMERS OF SUBSTITUTED BENZENE COMPOUNDS | Monsanto Company (US) | 1989-05-17 | — | — | EP | disclosed |
| EP-0155441-A1 | A process for separating nitration isomers of substituted benzene compounds | Monsanto Company (US) | 1985-09-25 | — | — | EP | disclosed |
| US-4503276-A | Process for separating nitration isomers of substituted benzene compounds | MONSANTO COMPANY (US) | 1985-03-05 | — | — | US | disclosed |