Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038603 | 0.89 | ATM (0.42) | CXCR3POLBKDM4EALDH1A1LMNA | |
| SCHEMBL4037470 | 0.86 | GAA (0.44) | CXCR3CCR5GAAL3MBTL1KDM4E | |
| SCHEMBL4041207 | 0.85 | PLA2G10 (0.38) | CXCR3GAAPOLBHDAC8KDM4E | |
| SCHEMBL3926088 | 0.85 | CXCR3 (0.41) | CXCR3CCR5GAAPOLBHDAC1 | |
| SCHEMBL1797763 | 0.83 | CYP2D6 (0.51) | CXCR3CCR5GAAALDH1A1 | |
| SCHEMBL4037625 | 0.83 | ALDH1A1 (0.40) | CCR5L3MBTL1KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL1800654 | 0.82 | CYP2D6 (0.50) | CXCR3CCR5GAAALDH1A1 | |
| SCHEMBL3918198 | 0.82 | GAA (0.41) | CXCR3CCR5GAAPOLBHDAC1 | |
| SCHEMBL4040634 | 0.81 | BCHE (0.44) | CXCR3GAAPKMALDH1A1 | |
| SCHEMBL1798600 | 0.81 | NPC1 (0.48) | POLBL3MBTL1 |
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 |