Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6187607 | 0.80 | MAPK1 (0.64) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL8658204 | 0.79 | MAPK1 (0.62) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL16391745 | 0.78 | KDM4E (0.64) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL8439255 | 0.74 | KDM4E (0.70) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL497538 | 0.71 | KDM4E (0.62) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL19013803 | 0.71 | KDM4E (0.66) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL18990660 | 0.71 | KDM4E (0.65) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL15331425 | 0.71 | MAPK1 (0.76) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL27628883 | 0.71 | KDM4E (0.78) | KDM4EMAPK1MAPTRECQLMDM2 | |
| SCHEMBL788784 | 0.70 | ALDH1A1 (0.50) | KDM4EMAPK1ALDH1A1POLBGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102276609-A | Hydrochlorides of 1-[(3-cyanopyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-aminopiperidin-1-yl)xanthine, their preparation and their use | — | 2011-12-14 | — | — | CN | disclosed |
| CN-101233133-B | Hydrochloride and hydrate of 1- [ (3-cyano-pyridin-2-yl) methyl ] -3-methyl-7- (2-butyn-1-yl) -8- (3-amino-piperidin-1-yl) -xanthine, method for the production thereof and use thereof as a medicament | BOEHRINGER INGELHEIM INT | 2011-09-07 | — | — | CN | disclosed |
| CN-101233133-A | Hydrochloride and hydrate of 1- [ (3-cyano-pyridin-2-yl) methyl ] -3-methyl-7- (2-butyn-1-yl) -8- (3-amino-piperidin-1-yl) -xanthine, method for the production thereof and use thereof as a medicament | BOEHRINGER INGELHEIM INT (DE) | 2008-07-30 | — | — | CN | disclosed |