Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | GRN | P28799 | 1/20 | 0.50 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.50 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16629231 | 0.87 | IRAK4 (0.40) | KDM4EGRNSORT1BRD9GSK3B | |
| SCHEMBL31714479 | 0.86 | GSK3B (0.39) | KDM4EGRNSORT1BRD9GSK3B | |
| SCHEMBL12050053 | 0.82 | ALDH1A1 (0.55) | BRD9GSK3BDYRK1AMAPK14CA1 | |
| SCHEMBL3993101 | 0.81 | PTGER1 (0.42) | GRNSORT1BRD9GSK3BDYRK1A | |
| SCHEMBL22952388 | 0.81 | MAPK14 (0.44) | KDM4EGRNSORT1BRD9GSK3B | |
| SCHEMBL28690858 | 0.81 | MAPK14 (0.41) | BRD9GSK3BDYRK1AMAPK14CA1 | |
| SCHEMBL20885891 | 0.80 | PTGER1 (0.41) | KDM4EBRD9GSK3BDYRK1AMAPK14 | |
| SCHEMBL31713053 | 0.80 | GSK3B (0.39) | KDM4EBRD9GSK3BDYRK1AMAPK14 | |
| SCHEMBL24077319 | 0.78 | GSK3B (0.40) | BRD9GSK3BDYRK1AMAPK14CA1 | |
| SCHEMBL20885944 | 0.78 | MAPK14 (0.42) | KDM4EBRD9GSK3BDYRK1AMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015050989-A2 | MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | CS THERAPEUTICS INC. (US) | 2015-04-09 | — | — | WO | disclosed |