Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PTPRF | P10586 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28680251 | 0.92 | CYP1A2 (0.46) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28294621 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28872818 | 0.87 | KCNJ1 (0.48) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28689681 | 0.87 | ACHE (0.46) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPT | |
| SCHEMBL28872814 | 0.87 | LOXL2 (0.54) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28688251 | 0.84 | MAPT (0.42) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28293024 | 0.84 | KCNJ1 (0.45) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28689694 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2C19ALDH1A1MAPTHTT | |
| SCHEMBL28683428 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP2C19CYP2C9ALDH1A1MAPT | |
| SCHEMBL28683426 | 0.81 | KMT2A (0.40) | CYP1A2CYP2C19ALDH1A1MAPTHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109694335-B | Solvent-free preparation method of disubstituted p-nitrophenylacetonitrile derivative | 西华大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-109694335-A | The non-solvent preparation of disubstituted para orientation nitration derivative | 西华大学 | 2019-04-30 | — | — | CN | disclosed |