Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.46 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.45 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.45 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.45 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 4/20 | 0.44 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2558872 | 0.80 | DHFR (0.60) | DHFRPIK3CAMTORPIK3R1CDK1 | |
| SCHEMBL14694265 | 0.73 | DHFR (0.58) | DHFR | |
| SCHEMBL28066917 | 0.73 | TNK2 (0.58) | — | |
| SCHEMBL28070394 | 0.72 | TTK (0.52) | DHFRPIK3CAMTORPIK3R1CDK1 | |
| SCHEMBL7712422 | 0.72 | STK4 (0.54) | DHFRPIK3CAAKT1MTORPIK3R1 | |
| SCHEMBL7712374 | 0.72 | PIK3CA (0.48) | DHFRPIK3CAMTORPIK3R1 | |
| SCHEMBL7714561 | 0.72 | KDM4E (0.56) | DHFRPIK3CAMTORPIK3R1ADK | |
| SCHEMBL1033888 | 0.72 | GABBR2 (0.51) | DHFRCDK2 | |
| SCHEMBL7708544 | 0.71 | NOS1 (0.58) | DHFRPIK3CAMTORPIK3R1 | |
| SCHEMBL4466816 | 0.68 | CDK1 (0.66) | PIK3CAPIK3R1CDK1CDK2ADK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010068863-A2 | PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | claimed |
| WO-2011008931-A2 | ARYLPYRIMIDINE COMPOUNDS AND COMBINATION THERAPY COMPRISING SAME FOR TREATING CYSTIC FIBROSIS & RELATED DISORDERS | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2011-01-20 | — | — | WO | disclosed |
| WO-2010068863-A2 | PYRIMIDINE COMPOUNDS AND METHODS OF MAKING AND USING SAME | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |