Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28391082 | 0.84 | CA12 (0.57) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL28393233 | 0.84 | CA12 (0.57) | CA12CA2CA9MAPTSMN1; SMN2 | |
| SCHEMBL28390034 | 0.84 | CA12 (0.57) | CA12CA2CA9MAPTSMN1; SMN2 | |
| SCHEMBL28392122 | 0.83 | CA12 (0.75) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL28394412 | 0.82 | KDM4E (0.60) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL28390935 | 0.81 | GAA (0.71) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL28389595 | 0.81 | CA12 (0.53) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL27616587 | 0.76 | MAPT (0.69) | CA12CA2CA9KDM4EMAPT | |
| SCHEMBL5203429 | 0.76 | SHMT2 (0.56) | KDM4ESMN1; SMN2ALDH1A1HTTGAA | |
| SCHEMBL13578588 | 0.76 | KDM4E (0.49) | KDM4EMAOBGAALMNAL3MBTL1 |
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-111116570-A | Pyrimidine dibenzo [ b, f ] [1,4] oxazepine derivatives and preparation method thereof | 浙江大学 | 2020-05-08 | — | — | CN | disclosed |