Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| SCHEMBL14466256 | 0.82 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1HDAC1KEAP1HTT | |
| SCHEMBL14566097 | 0.76 | ALDH1A1 (0.42) | ALDH1A1HTTCA3CA6CA5A | |
| SCHEMBL2688432 | 0.70 | ACHE (0.36) | ALDH1A1SLC6A4NPC1CYP1A1CA3 | |
| SCHEMBL24006867 | 0.70 | RECQL (0.34) | SLC6A4 | |
| SCHEMBL14159169 | 0.70 | KDM4E (0.37) | HTTKDM4ESLC6A4 | |
| SCHEMBL14434929 | 0.70 | IDO1 (0.42) | SLC6A2SLC6A4 | |
| SCHEMBL103128 | 0.69 | — | — | |
| SCHEMBL29476041 | 0.69 | — | — | |
| SCHEMBL29502013 | 0.69 | — | — | |
| SCHEMBL291685 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008002621-A2 | BENZYL-SUBSTITUTED QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2008-01-03 | — | — | WO | disclosed |