Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28827128 | 0.80 | POLB (0.57) | POLBLMNASMN1; SMN2MAPTEPHX2 | |
| SCHEMBL28060419 | 0.79 | MAPK1 (0.44) | ALDH1A1KDM4EPOLBLMNAMAPK1 | |
| SCHEMBL27990928 | 0.79 | POLB (0.36) | ALDH1A1KDM4EPOLBLMNASMN1; SMN2 | |
| SCHEMBL28060422 | 0.79 | PIK3CD (0.34) | ALDH1A1KDM4EPOLBMAPK1GAA | |
| SCHEMBL18713104 | 0.78 | HTT (0.52) | HTTALDH1A1KDM4EPOLBLMNA | |
| SCHEMBL27987722 | 0.78 | L3MBTL1 (0.39) | HTTALDH1A1MAPK1SMN1; SMN2MAPT | |
| SCHEMBL28060475 | 0.78 | CTSK (0.42) | ALDH1A1LMNAGAAEPHX1NPSR1 | |
| SCHEMBL27838575 | 0.77 | HPGD (0.47) | HTTALDH1A1POLBLMNAGAA | |
| SCHEMBL27410594 | 0.75 | ALDH1A1 (0.37) | HTTALDH1A1LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL28290444 | 0.74 | MEN1 (0.40) | HTTALDH1A1LMNAMAPK1SMN1; SMN2 |
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-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |