Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 7/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4042121 | 0.91 | GAA (0.36) | GAAKMT2ACCR5ALDH1A1HTT | |
| SCHEMBL4033395 | 0.90 | MCHR1 (0.36) | GAAKMT2AACHE | |
| SCHEMBL3918968 | 0.88 | GAA (0.46) | GAAKMT2ACCR5CACNA1GMAPT | |
| SCHEMBL4040064 | 0.88 | CHRM3 (0.39) | GAAKMT2A | |
| SCHEMBL4035369 | 0.87 | GAA (0.42) | GAAKMT2ACCR5CACNA1GMAPT | |
| SCHEMBL4034900 | 0.86 | CXCR3 (0.40) | GAACCR5KDM4EALDH1A1LMNA | |
| SCHEMBL4042715 | 0.85 | FEN1 (0.33) | GAAKMT2AMAPTTSHRALDH1A1 | |
| SCHEMBL4035139 | 0.85 | GAA (0.43) | GAAKMT2ACCR5CACNA1GMAPT | |
| SCHEMBL3925963 | 0.85 | GAA (0.47) | GAAKMT2ACCR5CACNA1GMAPT | |
| SCHEMBL2935516 | 0.83 | KMT2A (0.49) | GAAKMT2ACCR5CACNA1GMAPT |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |