Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A2 | P43004 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3156095 | 0.94 | SLC1A2 (0.46) | SLC1A2TP53TSHRCYP1A2CYP3A4 | |
| SCHEMBL3166495 | 0.92 | SLC1A2 (0.44) | SLC1A2TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3171368 | 0.92 | ADORA3 (0.45) | SLC1A2TSHRADORA3KMT2AUSP2 | |
| SCHEMBL3162484 | 0.91 | MAPT (0.44) | SLC1A2ADORA3KMT2APOLBMAPK1 | |
| SCHEMBL3155601 | 0.91 | ADORA2A (0.42) | SLC1A2TSHRCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3163864 | 0.90 | LMNA (0.43) | TP53ADORA3KMT2AUSP2POLB | |
| SCHEMBL3164671 | 0.89 | ADORA2A (0.41) | SLC1A2TSHRCYP1A2CYP3A4CLK4 | |
| SCHEMBL3177170 | 0.89 | NTSR1 (0.46) | SLC1A2TSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3161165 | 0.88 | ABCG2 (0.45) | CYP1A2CYP3A4CYP2D6CLK4ADORA3 | |
| SCHEMBL3171564 | 0.87 | CHRM4 (0.45) | SLC1A2TP53TSHRCYP1A2CYP3A4 |
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 |