Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL3172350 | 0.92 | THRB (0.55) | ALDH1A1KDM4EDRD2DRD4DRD3 | |
| SCHEMBL3162425 | 0.91 | EGFR (0.53) | ALDH1A1KDM4ETSHRHTTSMN1; SMN2 | |
| SCHEMBL3171920 | 0.89 | ADORA1 (0.47) | ALDH1A1KDM4EADORA2AADORA1EGFR | |
| SCHEMBL3162096 | 0.89 | OGA (0.45) | ALDH1A1KDM4ETDP1DRD4MAPK1 | |
| SCHEMBL3172939 | 0.88 | DRD2 (0.44) | ALDH1A1KDM4ETDP1DRD2DRD4 | |
| SCHEMBL3163144 | 0.88 | ADORA3 (0.46) | ALDH1A1KDM4ETSHRSMN1; SMN2POLB | |
| SCHEMBL3164858 | 0.88 | ALDH1A1 (0.49) | ALDH1A1KDM4ETSHRSMN1; SMN2ADORA2A | |
| SCHEMBL3163125 | 0.88 | NPC1 (0.47) | ALDH1A1KDM4EPOLBADORA2AADORA1 | |
| SCHEMBL3164709 | 0.88 | NPC1 (0.47) | ALDH1A1KDM4EPOLBADORA2AADORA1 | |
| SCHEMBL3175543 | 0.88 | EGFR (0.50) | ALDH1A1KDM4ETSHRHTTSMN1; SMN2 |
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 |