Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | KDM6A | O15550 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3163421 | 0.89 | HTR1A (0.44) | ALDH1A1LMNAADORA3ADORA2AADORA2B | |
| SCHEMBL3166495 | 0.88 | SLC1A2 (0.44) | ALDH1A1MAPK1SLC6A7KDM4EPOLB | |
| SCHEMBL3175769 | 0.87 | ADORA2A (0.45) | ALDH1A1MAPK1KDM4ECYP3A4RECQL | |
| SCHEMBL3164671 | 0.87 | ADORA2A (0.41) | ALDH1A1MAPK1CYP3A4HSD17B10TSHR | |
| SCHEMBL3155892 | 0.86 | ADORA2A (0.46) | ALDH1A1MAPK1KDM4ECYP3A4RECQL | |
| SCHEMBL3162937 | 0.86 | ADORA2A (0.46) | ALDH1A1MAPK1KDM4ECYP3A4RECQL | |
| SCHEMBL3172350 | 0.86 | THRB (0.55) | ALDH1A1L3MBTL1KDM4EPOLBCYP3A4 | |
| SCHEMBL3165279 | 0.86 | CYP1A2 (0.43) | ALDH1A1MAPK1CYP3A4CYP2C9HSD17B10 | |
| SCHEMBL3166225 | 0.85 | ADORA2A (0.45) | ALDH1A1MAPK1KDM4ECYP3A4CYP2C9 | |
| SCHEMBL3174594 | 0.85 | ADORA2A (0.45) | ALDH1A1MAPK1KDM4ECYP3A4CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |