Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.32 |
| ▸ | RELA | Q04206 | 2/20 | 0.32 |
| ▸ | STAT5B | P51692 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27969454 | 0.87 | MYC (0.40) | KDM4ECSNK2A1BRD4NFKB1NFKB2 | |
| SCHEMBL24072766 | 0.75 | RXRB (0.42) | NPSR1BRD4STAT5BPAX8MEN1 | |
| SCHEMBL30339105 | 0.75 | RXRB (0.42) | NPSR1BRD4STAT5BPAX8MEN1 | |
| SCHEMBL31716122 | 0.74 | SSTR4 (0.37) | KDM4EBRD4NFKB1NFKB2RELA | |
| SCHEMBL31110212 | 0.72 | ALDH1A1 (0.35) | CYP2C19L3MBTL1STAT5BALDH1A1SMN1; SMN2 | |
| SCHEMBL22115129 | 0.72 | ABL1 (0.38) | CYP2C9CYP2C19NPSR1BRD4PAX8 | |
| SCHEMBL18091685 | 0.72 | HSD17B10 (0.40) | KDM4ENPSR1LCKMEN1KMT2A | |
| SCHEMBL849774 | 0.72 | CYP2C9 (0.34) | KDM4ECYP2C9CYP2C19NPSR1BRD4 | |
| SCHEMBL27504065 | 0.70 | KDM4E (0.50) | KDM4EMETAP2CSNK2A1TPMTMEN1 | |
| SCHEMBL108498 | 0.70 | LCK (0.50) | KDM4EMETAP2L3MBTL1NFKB1NFKB2 |
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-103992326-A | Indol-hexahydropyrazine-quinazolinone anti-tumour compounds and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-08-20 | — | — | CN | disclosed |