Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM6B | O15054 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.43 |
| ▸ | SLCO1B1 | Q9Y6L6 | 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 | |
|---|---|---|---|---|
| SCHEMBL3172350 | 0.91 | THRB (0.55) | DRD2DRD4DRD3THRBNPSR1 | |
| SCHEMBL3160939 | 0.88 | ALDH1A1 (0.52) | DRD2DRD4DRD3THRBNPSR1 | |
| SCHEMBL3162425 | 0.86 | EGFR (0.53) | ALDH1A1TSHRLMNAKDM4ESMN1; SMN2 | |
| SCHEMBL3170421 | 0.85 | SMN1; SMN2 (0.55) | ALDH1A1TSHRKDM4ETDP1SMN1; SMN2 | |
| SCHEMBL3177057 | 0.84 | AURKA (0.41) | ALDH1A1TSHRCYP1A2CYP3A4CLK4 | |
| SCHEMBL3171437 | 0.84 | CYP1A2 (0.46) | DRD4NPSR1KDM6BNR1I2CHRNA1 | |
| SCHEMBL3171920 | 0.84 | ADORA1 (0.47) | ALDH1A1KDM4EGSK3BDYRK1AADORA2A | |
| SCHEMBL3163144 | 0.83 | ADORA3 (0.46) | ALDH1A1TSHRLMNAKDM4ESMN1; SMN2 | |
| SCHEMBL3163125 | 0.83 | NPC1 (0.47) | NPSR1ALDH1A1KDM4EGSK3BDYRK1A | |
| SCHEMBL3164709 | 0.83 | NPC1 (0.47) | NPSR1ALDH1A1KDM4EGSK3BDYRK1A |
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 |