Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.56 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.56 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1995690 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL29398386 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL7039417 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL29942185 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL7240751 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL140068 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL8187684 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL28090702 | 0.78 | MAPK1 (0.47) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL4747577 | 0.77 | TDP1 (0.55) | ALDH1A1HPGDTSHRHIF1ATXNRD1 | |
| SCHEMBL2158306 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDALOX15TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907232-B | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2024-02-23 | — | — | CN | claimed |
| CN-114907232-A | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2022-08-16 | — | — | CN | claimed |
| CN-114907232-B | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-114907232-B | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-114907232-A | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114907232-A | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2022-08-16 | — | — | CN | disclosed |