Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449728 | 0.83 | KDM4E (0.44) | L3MBTL1ALDH1A1KDM4ETSHRHCAR3 | |
| SCHEMBL9670835 | 0.80 | KDM4E (0.44) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 | |
| SCHEMBL4430320 | 0.80 | FOLH1 (0.59) | ALDH1A1KDM4ETSHRFOLH1HTT | |
| SCHEMBL27792967 | 0.78 | KDM4E (0.46) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 | |
| SCHEMBL9671387 | 0.77 | KDM4E (0.42) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 | |
| SCHEMBL1355580 | 0.76 | RXRA (0.48) | ALDH1A1KDM4ETSHRFOLH1PTPN1 | |
| SCHEMBL7109116 | 0.76 | KDM4E (0.44) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 | |
| SCHEMBL9170227 | 0.76 | KDM4E (0.44) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 | |
| SCHEMBL5051198 | 0.76 | FOLH1 (0.65) | L3MBTL1KDM4ETSHRFOLH1PTPN1 | |
| SCHEMBL29460346 | 0.76 | ALDH1A1 (0.39) | L3MBTL1ALDH1A1KDM4ETSHRFOLH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1290847-C | Aza-aryl piperazines | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | CN | claimed |
| CN-1625558-A | Aza-arylpiperazines | HOFFMANN LA ROCHE (CH) | 2005-06-08 | — | — | CN | claimed |
| CN-1290847-C | Aza-aryl piperazines | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | CN | disclosed |
| CN-1625558-A | Aza-arylpiperazines | HOFFMANN LA ROCHE (CH) | 2005-06-08 | — | — | CN | disclosed |