Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 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 | |
|---|---|---|---|---|
| SCHEMBL21940300 | 0.77 | PIM1 (0.31) | — | |
| SCHEMBL21940802 | 0.73 | KDM4E (0.44) | ALDH1A1L3MBTL1LMNAGAAADORA2A | |
| SCHEMBL21940800 | 0.73 | KDM4E (0.44) | ALDH1A1L3MBTL1LMNAGAAADORA2A | |
| SCHEMBL21940293 | 0.73 | KDM4E (0.44) | ALDH1A1L3MBTL1LMNAGAAADORA2A | |
| SCHEMBL21940582 | 0.73 | KDM4E (0.44) | ALDH1A1L3MBTL1LMNAGAAADORA2A | |
| SCHEMBL21940505 | 0.73 | CHRM4 (0.35) | — | |
| SCHEMBL21940805 | 0.71 | ELOVL1 (0.39) | — | |
| SCHEMBL21940807 | 0.71 | LRRK2 (0.44) | ADORA2AADORA1 | |
| SCHEMBL21941081 | 0.70 | AKT1 (0.32) | — | |
| SCHEMBL29209033 | 0.70 | PIK3CA (0.43) | ALDH1A1L3MBTL1LMNAGAAADORA2A |
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-3423445-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2020-04-01 | — | — | EP | disclosed |