Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP9 | P55211 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 3/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9928822 | 0.86 | PIK3CD (0.39) | EGFRBRAFKDRTSHR | |
| SCHEMBL9929703 | 0.79 | PIK3CD (0.43) | EGFRL3MBTL1KDRALDH1A1TSHR | |
| Trifluoroacetic Acid SCHEMBL9953716 | 0.78 | PIK3CD (0.36) | PDE11A | |
| Trifluoroacetic Acid SCHEMBL9953150 | 0.78 | PIK3CD (0.33) | SMN1; SMN2HTTPDE11AMAPTTSHR | |
| Trifluoroacetic Acid SCHEMBL9960946 | 0.76 | PDE11A (0.32) | PDE11A | |
| Trifluoroacetic Acid SCHEMBL9952275 | 0.76 | PIK3CD (0.31) | — | |
| SCHEMBL9960486 | 0.76 | EGFR (0.40) | EGFRKDM4ESMN1; SMN2HTTLMNA | |
| Trifluoroacetic Acid SCHEMBL9954032 | 0.76 | PTGDR (0.32) | PDE11A | |
| Trifluoroacetic Acid SCHEMBL9952333 | 0.75 | PIK3CD (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL9960928 | 0.74 | WHR1 (0.31) | PDE11AKDR |
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-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |