Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | RECQL | P46063 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165096 | 0.91 | ADORA2A (0.65) | ADORA2AADORA1ALDH1A1KDM4ELMNA | |
| SCHEMBL3172187 | 0.91 | ALDH1A1 (0.54) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3177178 | 0.89 | ADORA2A (0.56) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3174346 | 0.88 | NPC1 (0.53) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3172990 | 0.88 | ADORA2A (0.61) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3162050 | 0.87 | ADORA2A (0.72) | ADORA2AADORA1ALDH1A1KDM4ELMNA | |
| SCHEMBL3172317 | 0.87 | ADORA2A (0.53) | ADORA2AADORA1ALDH1A1KDM4ELMNA | |
| SCHEMBL3256770 | 0.87 | CYP1A2 (0.67) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3171963 | 0.87 | ADORA2A (0.60) | ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3156465 | 0.85 | ADORA2A (0.61) | ADORA2AADORA1ALDH1A1KDM4ESMN1; 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 |