Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.62 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.62 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.62 |
| ▸ | ACP1 | P24666 | 3/20 | 0.50 |
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.44 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7751035 | 0.91 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL4079175 | 0.91 | ADORA1 (0.65) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL7752267 | 0.90 | ADORA1 (0.60) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL4077255 | 0.90 | ADORA1 (0.60) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL4082386 | 0.89 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL7751195 | 0.84 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL8365600 | 0.80 | ACP1 (0.57) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| SCHEMBL22587416 | 0.78 | ACP1 (0.60) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| Derenofylline SCHEMBL24117119 | 0.77 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3ACP1 | |
| Derenofylline SCHEMBL2832387 | 0.77 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3ACP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6680324-B2 | 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES | OSI PHARMACEUTICALS, INC. | 2004-01-20 | — | — | US | disclosed |