Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 5/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.36 |
| ▸ | CDK2 | P24941 | 7/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.33 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.33 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.33 |
| ▸ | NEK10 | Q6ZWH5 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30197328 | 1.00 | BTK (0.38) | BTKLCKCCNA2CDK2CCNA1 | |
| SCHEMBL2298401 | 0.76 | EGLN1 (0.40) | BTKLCKIKBKBCHUKJAK2 | |
| SCHEMBL29882414 | 0.72 | PDPK1 (0.45) | BTKLCKIKBKBCHUKSYK | |
| SCHEMBL1155438 | 0.72 | TYR (0.32) | — | |
| SCHEMBL397818 | 0.72 | KDM4E (0.34) | — | |
| SCHEMBL17748982 | 0.70 | BTK (0.46) | BTKIKBKBCHUKJAK2JAK1 | |
| SCHEMBL30473788 | 0.70 | BTK (0.46) | BTKIKBKBCHUKJAK2JAK1 | |
| SCHEMBL21672423 | 0.70 | BTK (0.37) | BTKLCKIKBKBCHUKSYK | |
| SCHEMBL23532162 | 0.68 | AHR (0.41) | PRKCI | |
| SCHEMBL14438032 | 0.68 | DRD1 (0.39) | PRKCI |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1964975-B | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-11-30 | — | — | CN | claimed |
| CN-1964975-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | claimed |
| CN-1964975-B | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-11-30 | — | — | CN | disclosed |
| CN-1964975-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-05-16 | — | — | CN | disclosed |