Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953638 | 0.84 | BRAF (0.43) | HDAC1HDAC8HDAC6HDAC3HDAC2 | |
| SCHEMBL10281753 | 0.81 | HPGD (0.45) | TRPV1HDAC1HDAC8HDAC6HDAC3 | |
| SCHEMBL15614546 | 0.78 | MAPT (0.51) | RXFP1BRAFCYP17A1 | |
| SCHEMBL661640 | 0.77 | RAB9A (0.56) | RXFP1CYP17A1NFKB1NFKB2RELA | |
| SCHEMBL4304475 | 0.77 | RAB9A (0.53) | HDAC1RXFP1CNR2RAB9A | |
| SCHEMBL4310554 | 0.77 | VCP (0.45) | RXFP1HNF4ACNR2BRD9CYP17A1 | |
| SCHEMBL23754439 | 0.77 | PPARG (0.52) | HDAC1HDAC8HDAC6RXFP1BRAF | |
| SCHEMBL30955674 | 0.77 | PPARG (0.52) | HDAC1HDAC8HDAC6RXFP1BRAF | |
| SCHEMBL13636114 | 0.76 | CYP17A1 (0.44) | EGFRRXFP1BRAFCNR2BRD9 | |
| SCHEMBL2133972 | 0.76 | CACNA1B (0.47) | HDAC1HDAC8HDAC6HDAC3HDAC2 |
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-101331134-B | Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof | KISSEI PHARMACEUTICAL | 2012-11-28 | — | — | CN | disclosed |
| CN-101331134-A | Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof | KISSEI PHARMACEUTICAL (JP) | 2008-12-24 | — | — | CN | disclosed |