Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 2/20 | 0.44 |
| ▸ | BCL2 | P10415 | 1/20 | 0.44 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MPI | P34949 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 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 | |
|---|---|---|---|---|
| SCHEMBL2012746 | 0.89 | PIK3CD (0.35) | PIK3CDBCL2CDK1KDM4ELMNA | |
| SCHEMBL12491178 | 0.88 | BCL2 (0.47) | PIK3CDBCL2NT5ENOTUMCYP17A1 | |
| SCHEMBL2016661 | 0.88 | PIK3CD (0.36) | PIK3CDBCL2GCGRADORA1NOTUM | |
| SCHEMBL12403232 | 0.86 | BCL2 (0.48) | PIK3CDBCL2NT5ENOTUMCYP17A1 | |
| Trifluoroacetic Acid SCHEMBL2012078 | 0.82 | BCL2 (0.41) | PIK3CDBCL2NT5ECYP3A4LMNA | |
| SCHEMBL15617701 | 0.80 | BCL2 (0.44) | PIK3CDBCL2NT5E | |
| SCHEMBL2014653 | 0.80 | CSNK2A2 (0.39) | NT5EGCGRADORA1CYP17A1CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL2013841 | 0.80 | BCL2 (0.42) | PIK3CDBCL2NT5ECYP3A4GRIN2B | |
| SCHEMBL2015599 | 0.77 | BCL2 (0.36) | PIK3CDBCL2 | |
| SCHEMBL2016433 | 0.77 | TAAR1 (0.43) | PIK3CDBCL2GCGRNOTUMCYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012125629-A1 | SUBSTITUTED DIAMINO-PYRIMIDINE AND DIAMINO-PYRIDINE DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-09-20 | — | — | WO | disclosed |
| WO-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |