Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.58 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | EGFR | P00533 | 2/20 | 0.55 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 3/20 | 0.52 |
| ▸ | BCR | P11274 | 3/20 | 0.52 |
| ▸ | SMO | Q99835 | 1/20 | 0.51 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | PIP4K2A | P48426 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4114258 | 0.88 | ABL1 (0.51) | CYP1A2CYP2C9CLK4DEGS1TP53 | |
| SCHEMBL5732539 | 0.86 | EGFR (0.76) | CYP1A2CYP2C9CLK4EGFRERBB3 | |
| SCHEMBL1244521 | 0.85 | CYP1A2 (0.57) | CYP1A2CYP2C9CLK4DEGS1TP53 | |
| SCHEMBL1242053 | 0.85 | ADORA3 (0.57) | CYP1A2CYP2C9CLK4TP53MAPT | |
| SCHEMBL5752060 | 0.83 | CCNT1 (0.67) | MAPTEGFRERBB3ABL1BCR | |
| SCHEMBL12907685 | 0.81 | MAPT (0.58) | CYP1A2CYP2C9CLK4TP53MAPT | |
| SCHEMBL1244724 | 0.80 | RAB9A (0.56) | CYP1A2CYP2C9CLK4TP53MAPT | |
| SCHEMBL4097394 | 0.79 | CDK9 (0.66) | CYP1A2CLK4LMNA | |
| SCHEMBL1938370 | 0.79 | ADORA3 (0.76) | TP53MAPTEGFRERBB3ADORA3 | |
| SCHEMBL4761623 | 0.79 | EGFR (0.53) | CYP1A2CYP2C9CLK4TP53MAPT |
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-1678147-A1 | PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES | GPC Biotech AG (DE) | 2006-07-12 | — | — | EP | claimed |
| WO-2005026129-A1 | PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES | GPC BIOTECH AG (DE) | 2005-03-24 | — | — | WO | claimed |