Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5673651 | 0.92 | ALDH1A1 (0.43) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL5674844 | 0.92 | MEN1 (0.57) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL5334380 | 0.92 | MEN1 (0.43) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL5674920 | 0.92 | MEN1 (0.55) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL10825637 | 0.89 | MEN1 (0.46) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL19021269 | 0.88 | MEN1 (0.50) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL5675101 | 0.88 | MEN1 (0.58) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL6446552 | 0.86 | MEN1 (0.43) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL28712246 | 0.86 | MEN1 (0.57) | MEN1ALDH1A1TP53CYP3A4MAPT | |
| SCHEMBL10756123 | 0.83 | ALDH1A1 (0.46) | MEN1ALDH1A1TP53CYP3A4MAPT |
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-111004149-B | Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile | 大连奇凯医药科技有限公司 | 2022-06-07 | — | — | CN | disclosed |
| CN-111004149-A | Method for preparing polyfluorobenzonitrile by catalytic fluorination of polychlorinated benzonitrile | 大连奇凯医药科技有限公司 | 2020-04-14 | — | — | CN | disclosed |