Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.34 |
| ▸ | DPP4 | P27487 | 4/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 4/20 | 0.33 |
| ▸ | MMP1 | P03956 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL305560 | 1.00 | ALDH1A1 (0.37) | ALDH1A1DPP7DPP4TGM2ATM | |
| SCHEMBL2575910 | 0.98 | ALDH1A1 (0.41) | ALDH1A1DPP7DPP4TGM2ATM | |
| SCHEMBL9943928 | 0.81 | SMN1; SMN2 (0.42) | ALDH1A1MMP1MMP3HTTMMP8 | |
| SCHEMBL5559398 | 0.76 | HPGD (0.39) | ALDH1A1DPP7DPP4HPGDMMP1 | |
| SCHEMBL5518645 | 0.69 | HPGD (0.43) | ALDH1A1DPP7DPP4ATMHPGD | |
| SCHEMBL1539202 | 0.67 | ALDH1A1 (0.46) | ALDH1A1DPP7DPP4ATMHPGD | |
| SCHEMBL1077421 | 0.67 | HPGD (0.42) | ALDH1A1DPP7DPP4ATMHPGD | |
| SCHEMBL6608018 | 0.67 | ALDH1A1 (0.40) | ALDH1A1DPP7DPP4ATMHPGD | |
| SCHEMBL9019588 | 0.67 | HPGD (0.42) | ALDH1A1DPP7DPP4ATMHPGD | |
| SCHEMBL5303512 | 0.67 | ALDH1A1 (0.46) | ALDH1A1DPP7DPP4HPGDMMP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496559-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2018-01-10 | — | — | EP | claimed |
| EP-2298769-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2013-10-30 | — | — | EP | claimed |
| EP-1953162-B9 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-10-31 | — | — | EP | claimed |
| EP-1953162-B1 | Xanthin derivatives, their production and utilisation as medicine | BOEHRINGER INGELHEIM PHARMA (DE) | 2012-06-20 | — | — | EP | claimed |