Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 6/20 | 0.62 |
| ▸ | PPARG | P37231 | 4/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | PPARD | Q03181 | 2/20 | 0.47 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5136341 | 0.85 | HTR6 (0.47) | ACLYHTR6PSEN1PSEN2APH1B | |
| SCHEMBL2345728 | 0.84 | NOD2 (0.52) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL4759367 | 0.82 | ACLY (0.53) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL2930564 | 0.80 | ACLY (0.51) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL2930565 | 0.80 | ACLY (0.51) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL4757644 | 0.80 | ACLY (0.51) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL22003856 | 0.77 | ACLY (1.00) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL2346812 | 0.75 | NOD2 (0.52) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL2351246 | 0.74 | NOD2 (0.51) | ACLYPPARGPPARAPPARDHTR6 | |
| SCHEMBL12496967 | 0.74 | HTR6 (0.50) | ACLYPPARGPPARAPPARDHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1534268-A4 | TYROSINE KINASE INHIBITORS | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| EP-1534268-A2 | TYROSINE KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004014300-A2 | TYROSINE KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-02-19 | — | — | WO | disclosed |