Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 8/20 | 0.71 |
| ▸ | TEK | Q02763 | 6/20 | 0.71 |
| ▸ | KDR | P35968 | 7/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CDK8 | P49336 | 3/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.50 |
| ▸ | KIT | P10721 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CDK7 | P50613 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | BRAF | P15056 | 1/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038933 | 1.00 | LCK (0.71) | LCKTEKKDRALDH1A1LMNA | |
| SCHEMBL4715351 | 0.92 | LCK (0.78) | LCKTEKKDRALDH1A1CDK8 | |
| SCHEMBL13748796 | 0.88 | LCK (0.65) | LCKTEKKDRALDH1A1CDK8 | |
| SCHEMBL4035077 | 0.86 | LCK (0.52) | LCKTEKKDRLMNACDK8 | |
| SCHEMBL4715363 | 0.85 | LCK (0.67) | LCKTEKKDRCDK8MAPK14 | |
| SCHEMBL13748793 | 0.84 | LCK (0.58) | LCKTEKKDRALDH1A1LMNA | |
| SCHEMBL4714365 | 0.83 | LCK (0.65) | LCKTEKKDRALDH1A1LMNA | |
| SCHEMBL22683128 | 0.83 | LCK (1.00) | LCKTEKKDRMAPK14KIT | |
| SCHEMBL4714839 | 0.82 | KDR (0.65) | LCKTEKKDRKITBRAF | |
| SCHEMBL4720436 | 0.81 | TEK (0.61) | LCKTEKKDRALDH1A1CDK8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009100536-A1 | INHIBITORS OF KINASE ACTIVITY WITH 1,2-DI-CYCLYL SUBSTITUTED ALKYNE STRUCTURES | METHYLGENE INC. (CA) | 2009-08-20 | — | — | WO | disclosed |