Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.45 |
| ▸ | TERT | O14746 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27936477 | 0.87 | CACNA1H (0.62) | CACNA1HTERTKDM4EALDH1A1ACHE | |
| SCHEMBL27918011 | 0.86 | ACHE (0.56) | LMNACACNA1HTERTHTTACHE | |
| SCHEMBL27918014 | 0.84 | CACNA1H (0.51) | PKMCACNA1HTERTKDM4EALDH1A1 | |
| SCHEMBL27936512 | 0.81 | NPSR1 (0.59) | MEN1KMT2APKMHPGDSMN1; SMN2 | |
| SCHEMBL27918217 | 0.77 | TERT (0.56) | MEN1KMT2APKMEGFRLMNA | |
| SCHEMBL27918012 | 0.71 | MAOB (0.64) | MEN1KMT2AEGFRLMNANPSR1 | |
| SCHEMBL27918165 | 0.67 | KMT2A (0.61) | MEN1KMT2APKMEGFRSMN1; SMN2 | |
| SCHEMBL567540 | 0.66 | ALDH1A1 (0.64) | MEN1KMT2AMAPK1HPGDSMN1; SMN2 | |
| SCHEMBL567671 | 0.66 | ALDH1A1 (0.64) | MEN1KMT2AMAPK1HPGDSMN1; SMN2 | |
| SCHEMBL567541 | 0.66 | ALDH1A1 (0.64) | MEN1KMT2AMAPK1HPGDSMN1; SMN2 |
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-103304546-A | Pyrazoline derivatives comprising 1,4-benzodioxan structure, and preparation method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2013-09-18 | — | — | CN | disclosed |