Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.58 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.58 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.58 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.58 |
| ▸ | KIF11 | P52732 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL27713061 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL11814312 | 0.91 | ALDH1A1 (0.63) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27715340 | 0.90 | MAPT (0.53) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27719023 | 0.89 | KIF11 (0.48) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27728774 | 0.88 | CYP3A4 (0.49) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL28775045 | 0.87 | KIF11 (0.56) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27718379 | 0.87 | KIF11 (0.58) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| Bicarbonate SCHEMBL27719024 | 0.85 | KIF11 (0.52) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27719014 | 0.83 | KIF11 (0.50) | ALDH1A1CYP3A4HPGDTSHRTDP1 | |
| SCHEMBL27719410 | 0.83 | MAPT (0.50) | ALDH1A1CYP3A4HPGDTSHRTDP1 |
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-101279918-A | Preparation of 1,3,5-tri(2,6-dinitro- trifluoromethylphenoxy) benzene | UNIV DONGHUA (CN) | 2008-10-08 | — | — | CN | disclosed |