Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL3163102 | 0.90 | MLYCD (0.46) | MLYCDCYP1A2CYP3A4ALDH1A1CLK4 | |
| SCHEMBL3163394 | 0.89 | ADORA1 (0.51) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3168663 | 0.88 | ADORA1 (0.48) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3156240 | 0.87 | RAB9A (0.51) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3162824 | 0.87 | ADORA1 (0.47) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3165176 | 0.87 | POLB (0.57) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3171511 | 0.87 | ADORA3 (0.51) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3166454 | 0.86 | ADORA2A (0.56) | MLYCDCYP1A2CYP3A4ALDH1A1CLK4 | |
| SCHEMBL3168745 | 0.85 | ADORA2A (0.56) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 | |
| SCHEMBL3170298 | 0.85 | ADORA2A (0.46) | CYP1A2CYP3A4ALDH1A1CLK4HSD17B10 |
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 |