Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5663954 | 1.00 | TDP1 (0.47) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL28792277 | 0.81 | MTNR1A (0.47) | CYP2C19CYP1A2CYP2C9HTTCYP2D6 | |
| SCHEMBL6411524 | 0.78 | CYP1A2 (0.52) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL5830944 | 0.77 | CYP2C19 (0.56) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL27837375 | 0.76 | HTR2A (0.55) | MTNR1A | |
| Water SCHEMBL11405805 | 0.76 | CYP1A2 (0.50) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL1325661 | 0.74 | TDP1 (0.48) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| Hydrogen Peroxide SCHEMBL17838078 | 0.74 | TDP1 (0.53) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL11792152 | 0.74 | TDP1 (0.53) | TDP1CYP2C19CYP1A2CYP2C9HTT | |
| SCHEMBL10389881 | 0.74 | TDP1 (0.53) | TDP1CYP2C19CYP1A2CYP2C9ACP3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522635-B | N-cyclopropyl nitrone derivatives and preparation method thereof | 东北师范大学 | 2020-02-14 | — | — | CN | disclosed |
| CN-101215246-B | Method for preparing alpha-ketoxime acid ester | UNIV HEBEI SCIENCE & TECH | 2010-08-18 | — | — | CN | disclosed |
| CN-101215246-A | Method for preparing alpha-ketoxime acid ester | UNIV HEBEI SCIENCE & TECH (CN) | 2008-07-09 | — | — | CN | disclosed |