Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | DPP4 | P27487 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.49 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL555830 | 0.79 | MAPK1 (0.56) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555331 | 0.79 | MAPK1 (0.56) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555330 | 0.79 | MAPK1 (0.56) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL27582909 | 0.79 | DPP4 (0.48) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555807 | 0.75 | CYP1A2 (0.62) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555539 | 0.75 | MAPK1 (0.56) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555218 | 0.75 | MAPK1 (0.61) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555537 | 0.74 | DPP4 (0.55) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555538 | 0.74 | DPP4 (0.55) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 | |
| SCHEMBL555087 | 0.74 | USP2 (0.71) | ALDH1A1LMNAMAPK1TSHRL3MBTL1 |
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-101293888-B | Xanthine derivative, production and use thereof as a medicament | BOEHRINGER INGELHEIM PHARMA | 2013-09-25 | — | — | CN | disclosed |
| CN-101293888-A | Xanthine derivative, production and use thereof as a medicament | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-10-29 | — | — | CN | disclosed |
| CN-100408579-C | Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-08-06 | — | — | CN | disclosed |
| CN-1492870-A | Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions | ���ָ��Ӣ��ķ�������Ϲ�˾ | 2004-04-28 | — | — | CN | disclosed |