Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11078950 | 0.75 | — | — | |
| SCHEMBL9844559 | 0.72 | TYMP (0.31) | TYMP | |
| SCHEMBL14190025 | 0.71 | MGLL (0.41) | HTTKDM4EALDH1A1L3MBTL1GAA | |
| SCHEMBL14190024 | 0.70 | MGLL (0.41) | HTTKDM4EALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL14190026 | 0.70 | MGLL (0.41) | HTTKDM4EALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL3118429 | 0.70 | TYMP (0.36) | TYMPMEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL9843267 | 0.68 | TYMP (0.36) | TYMP | |
| SCHEMBL837199 | 0.68 | ABL1 (0.33) | HTTKDM4EALDH1A1TYMPGAA | |
| SCHEMBL27797075 | 0.67 | MEN1 (0.40) | KDM4EALDH1A1MEN1KMT2AHSD17B10 | |
| SCHEMBL14190027 | 0.67 | MAPT (0.37) | KDM4EALDH1A1MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781657-A2 | MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006045564-A1 | XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-05-04 | — | — | WO | disclosed |
| WO-2005077950-A2 | MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2005-08-25 | — | — | WO | disclosed |