Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.77 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.77 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.77 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | ACP1 | P24666 | 3/20 | 0.44 |
| ▸ | PAK4 | O96013 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4422702 | 1.00 | ADORA1 (0.77) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL4260177 | 0.88 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL4257021 | 0.88 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL4257018 | 0.88 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL4260180 | 0.88 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL13649809 | 0.88 | ADORA1 (0.75) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| Derenofylline SCHEMBL24117119 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| Derenofylline SCHEMBL2832387 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| Derenofylline SCHEMBL2832386 | 0.87 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL4431976 | 0.86 | ADORA1 (0.80) | ADORA1ADORA2AADORA3ADORA2BACP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009153261-A1 | HYDROXYPHENYL-SUBSTITUTED PYRROLO[2,3d]PYRIMIDINE DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE COMPOUNDS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2009-12-23 | — | — | WO | disclosed |