Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10959574 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TSHRNPSR1CYP19A1PIK3CA | |
| SCHEMBL8202644 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TSHRNPSR1CYP19A1PIK3CA | |
| SCHEMBL18643886 | 0.94 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL499569 | 0.87 | — | — | |
| SCHEMBL220922 | 0.87 | TSHR (0.37) | ALDH1A1TSHRPIK3CANPC1 | |
| SCHEMBL13464217 | 0.86 | CYP19A1 (0.35) | ALDH1A1CYP19A1 | |
| SCHEMBL21865608 | 0.86 | CYP19A1 (0.35) | ALDH1A1CYP19A1 | |
| Hydroxyl Radical SCHEMBL28330571 | 0.85 | — | — | |
| SCHEMBL24339626 | 0.81 | NPC1 (0.30) | NPC1 | |
| SCHEMBL16670912 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRPIK3CANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2074122-B1 | PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS | PFIZER PROD INC (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2008032162-A1 | PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-03-20 | — | — | WO | disclosed |