Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 7/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18032516 | 0.86 | TNF (0.42) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL18032512 | 0.84 | HDAC1 (0.42) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL358553 | 0.84 | PIK3CD (0.46) | PIK3CDHDAC1TNFSMN1; SMN2PIK3CA | |
| SCHEMBL18032511 | 0.83 | PIK3CD (0.52) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL18032506 | 0.83 | TNF (0.41) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL357452 | 0.82 | PIK3CD (0.61) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL358089 | 0.81 | TNF (0.48) | PIK3CDHDAC1TNFSMN1; SMN2PIK3CA | |
| SCHEMBL18032514 | 0.80 | HRH3 (0.46) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL18032509 | 0.80 | TNF (0.55) | PIK3CDHDAC1TNFSMN1; SMN2NT5E | |
| SCHEMBL362463 | 0.80 | PIK3CD (0.44) | PIK3CDHDAC1TNFSMN1; SMN2NT5E |
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-2593455-A1 | PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012007493-A1 | PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-19 | — | — | WO | disclosed |