Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNK18 | Q7Z418 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27343325 | 0.92 | KIF11 (0.45) | KIF11BRD4NQO1HTR7HTR1A | |
| SCHEMBL27338997 | 0.81 | MCL1 (0.41) | KIF11NQO1ALDH1A1MAPTHPGD | |
| SCHEMBL28077721 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL21176632 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| Chrysene SCHEMBL27616409 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL27740850 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL30928215 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| SCHEMBL2089665 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| Phenanthrene SCHEMBL27372954 | 0.80 | HPRT1 (0.54) | KIF11NQO1ALDH1A1MAPTHSD17B10 | |
| Anthracene SCHEMBL27553379 | 0.79 | HPRT1 (0.48) | KIF11NQO1ALDH1A1MAPTHPGD |
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-108472295-A | BIVALENT BROMODOMAIN INHIBITORS AND USES THEREOF | 达纳-法伯癌症研究所股份有限公司 | 2018-08-31 | — | — | CN | disclosed |