Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 6/20 | 0.37 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | JAK3 | P52333 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028919 | 0.93 | CHEK1 (0.39) | NTRK1CHEK1CCNT1KCNH2JAK1 | |
| SCHEMBL6029102 | 0.93 | CHEK1 (0.39) | NTRK1CTSCCHEK1CCNT1MC4R | |
| SCHEMBL6028842 | 0.90 | CHEK1 (0.39) | NTRK1CTSCCHEK1CDK9MAPT | |
| SCHEMBL6030341 | 0.89 | CHEK1 (0.36) | CHEK1KCNH2JAK1JAK3F10 | |
| SCHEMBL6028983 | 0.89 | CDK2 (0.38) | CHEK1KCNH2JAK1JAK3F10 | |
| SCHEMBL6029129 | 0.88 | CHEK1 (0.35) | CHEK1KCNH2JAK1JAK3MAPT | |
| SCHEMBL6028338 | 0.87 | CHEK1 (0.40) | CHEK1KCNH2JAK1JAK3F10 | |
| SCHEMBL6030459 | 0.87 | LMNA (0.41) | CTSCCHEK1CDK9MAPTKMT2A | |
| SCHEMBL6028900 | 0.86 | CDK8 (0.36) | NTRK1CHEK1CCNT1JAK1JAK3 | |
| SCHEMBL6029095 | 0.83 | CHEK1 (0.39) | CHEK1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984643-B2 | 2,5-substituted pyrimidine derivatives-CCR-3 receptor antagonists | ROCHE PALO ALTO LLC (US) | 2006-01-10 | — | — | US | disclosed |