Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 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 | |
|---|---|---|---|---|
| SCHEMBL28031070 | 0.82 | MEN1 (0.34) | ALDH1A1POLBTDP1L3MBTL1 | |
| SCHEMBL27628874 | 0.73 | PTPN1 (0.37) | PTPN1HPGDS | |
| SCHEMBL27609897 | 0.73 | PTPN1 (0.37) | PTPN1HPGDS | |
| SCHEMBL27628909 | 0.72 | PTPN1 (0.44) | PTPN1HPGDSGSK3BP2RX4 | |
| SCHEMBL28138277 | 0.69 | PDGFRB (0.38) | PTPN1ALDH1A1 | |
| SCHEMBL9409754 | 0.63 | PTPN1 (0.65) | PTPN1HPGDSGSK3BALDH1A1TDP1 | |
| SCHEMBL639490 | 0.62 | PTPN1 (0.42) | PTPN1HPGDSGSK3BALDH1A1 | |
| SCHEMBL8628863 | 0.62 | PTPN1 (0.59) | PTPN1HPGDSGSK3BALDH1A1 | |
| SCHEMBL31519376 | 0.60 | ALDH1A1 (0.64) | PTPN1HPGDSGSK3BALDH1A1POLB | |
| SCHEMBL1893853 | 0.60 | ALDH1A1 (0.64) | PTPN1HPGDSGSK3BALDH1A1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101503408-B | 8-(3-amino-piperidin-1-yl)-xanthines | BEOEHRINGER INGELHEIM PHARMA GMBH & CO KG | 2013-04-24 | — | — | CN | disclosed |
| CN-102964347-A | 8-[3-amino-piperidin-1-yl]-xanthines, the production thereof and the use of the same as medicaments | BOEHRINGER INGELHEIM PHARMA | 2013-03-13 | — | — | CN | disclosed |