Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 6/20 | 0.51 |
| ▸ | TERT | O14746 | 6/20 | 0.50 |
| ▸ | YAP1 | P46937 | 1/20 | 0.46 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | 0.90 | CACNA1H (0.62) | CACNA1HTERTYAP1TEAD4ACHE | |
| SCHEMBL27918011 | 0.90 | ACHE (0.56) | CACNA1HTERTACHERAF1BRAF | |
| SCHEMBL27936536 | 0.84 | MEN1 (0.49) | CACNA1HTERTACHEKDM4EALDH1A1 | |
| SCHEMBL27936512 | 0.82 | NPSR1 (0.59) | CACNA1HTERTACHEKDM4EALDH1A1 | |
| SCHEMBL27936553 | 0.80 | CACNA1H (0.64) | CACNA1HTERTYAP1TEAD4ACHE | |
| SCHEMBL27936470 | 0.73 | MAOB (0.67) | CACNA1HYAP1TEAD4ACHENT5E | |
| SCHEMBL567462 | 0.68 | ALDH1A1 (0.61) | ALDH1A1 | |
| SCHEMBL567463 | 0.68 | ALDH1A1 (0.61) | ALDH1A1 | |
| SCHEMBL567826 | 0.68 | ALDH1A1 (0.61) | ALDH1A1 | |
| SCHEMBL27936621 | 0.68 | TERT (0.66) | CACNA1HTERTRAF1BRAFMAPK8 |
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 |