Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.80 |
| ▸ | HPGD | P15428 | 1/20 | 0.80 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.80 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.80 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.80 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.80 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.80 |
| ▸ | FLT1 | P17948 | 1/20 | 0.52 |
| ▸ | FLT4 | P35916 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Chloralin SCHEMBL455937 | 0.89 | CYP3A4 (1.00) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL7819749 | 0.81 | ALDH1A1 (0.82) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL11343876 | 0.79 | ALDH1A1 (0.79) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL10414958 | 0.79 | CYP3A4 (0.79) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL10862632 | 0.78 | ALDH1A1 (0.77) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL9649686 | 0.78 | CYP3A4 (0.77) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL17680884 | 0.78 | CYP3A4 (0.77) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL140068 | 0.77 | ALDH1A1 (0.65) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL10587400 | 0.77 | MAPT (0.57) | TSHRALDH1A1CYP3A4TDP1HPGD | |
| Dinitrophenylene SCHEMBL27873807 | 0.77 | ALDH1A1 (0.58) | TSHRALDH1A1CYP3A4TDP1HPGD |
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-111205187-A | Preparation method of 4-chloro-3, 5-dinitrobenzotrifluoride | 内蒙古大中实业化工有限公司 | 2020-05-29 | — | — | CN | disclosed |