Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL6925139 | 0.84 | GSK3B (0.47) | GSK3BKDM4EALDH1A1KMT2AMAPT | |
| SCHEMBL6924226 | 0.83 | GSK3B (0.46) | GSK3BHPGDMAPK1NPSR1KDM4E | |
| SCHEMBL6925132 | 0.80 | KEAP1 (0.37) | GSK3BCSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL6928339 | 0.77 | KDM4E (0.43) | GSK3BCSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL3720571 | 0.75 | GSK3B (0.46) | GSK3BMAPK1ALDH1A1KMT2AMAPT | |
| SCHEMBL6925463 | 0.75 | KDM4E (0.42) | GSK3BCSNK2A2KDRCSNK2BCSNK2A1 | |
| SCHEMBL1529472 | 0.74 | CSNK2A2 (0.45) | CSNK2A2KDRCSNK2BCSNK2A1HPGD | |
| SCHEMBL8182690 | 0.74 | GSK3B (0.52) | GSK3BHPGDALDH1A1KMT2AMAPT | |
| SCHEMBL9925990 | 0.73 | KDM4E (0.67) | CSNK2A2KDRCSNK2BCSNK2A1HPGD | |
| SCHEMBL31386371 | 0.73 | PDGFRB (0.43) | GSK3BKDRHPGDTSHRATM |
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 |
|---|---|---|---|---|---|---|---|
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |