Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 5/20 | 0.33 |
| ▸ | DBF4 | Q9UBU7 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20745728 | 0.82 | LMNA (0.41) | MAPK1CDC7DBF4ALDH1A1PKM | |
| SCHEMBL20745576 | 0.70 | LMNA (0.41) | MAPK1ALDH1A1PKMADORA2AADORA2B | |
| SCHEMBL20746353 | 0.68 | KDM4E (0.39) | MAPK1ALDH1A1PKMKDM4ELMNA | |
| SCHEMBL14549182 | 0.60 | HDAC3 (0.54) | ALDH1A1PKMNPC1RAB9A | |
| SCHEMBL20028220 | 0.60 | SMN1; SMN2 (0.49) | ALDH1A1PKMKDM4ELMNAHPGD | |
| SCHEMBL19975395 | 0.60 | SCN9A (0.45) | MAPK1ALDH1A1PKMADORA2AKDM4E | |
| SCHEMBL13211356 | 0.59 | HDAC3 (0.52) | CDC7DBF4ALDH1A1PKMKDM4E | |
| SCHEMBL9369759 | 0.58 | NOTUM (0.52) | MAPK1ALDH1A1PKMKDM4ELMNA | |
| SCHEMBL837325 | 0.58 | ALDH1A1 (0.55) | MAPK1CDC7DBF4ALDH1A1PKM | |
| SCHEMBL13174880 | 0.57 | RAB9A (0.64) | MAPK1ALDH1A1PKMMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3668512-B1 | PYRUVATE KINASE MODULATORS AND USE THEREOF | AGIOS PHARMACEUTICALS INC (US) | 2023-02-15 | — | — | EP | disclosed |