Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | MTOR | P42345 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.35 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2825572 | 0.90 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL8355465 | 0.90 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL5189246 | 0.90 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL4077312 | 0.90 | ADORA1 (0.47) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL3924518 | 0.87 | ADORA1 (0.44) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL13873935 | 0.83 | ADORA1 (0.49) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL7746303 | 0.82 | ADORA1 (0.46) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL8355484 | 0.78 | ADORA1 (0.40) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL4170092 | 0.77 | ADORA1 (0.40) | ADORA1ADORA2AADORA3ADORA2BPIK3CA | |
| SCHEMBL4083747 | 0.74 | ELANE (0.51) | ADORA1ADORA2AADORA3ADORA2BPIK3CA |
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 |