Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28307147 | 0.89 | BCAT2 (0.49) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL7101846 | 0.82 | BCAT2 (0.50) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL30938036 | 0.82 | BCAT2 (0.50) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL4232113 | 0.77 | BCAT2 (0.54) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27668161 | 0.77 | BCAT2 (0.54) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL3111889 | 0.76 | AR (0.55) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL31621280 | 0.76 | SLC6A2 (0.64) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL31621279 | 0.76 | SLC6A2 (0.64) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL27771531 | 0.73 | AR (0.57) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B | |
| SCHEMBL8523177 | 0.73 | BCAT2 (0.53) | BCAT2CHEK1CSNK1A1TYRO3DYRK1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-101146540-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2008-03-19 | — | — | CN | disclosed |
| CN-1870896-A | Hydroxypyridopyrrolopyrazinedione compounds useful as HIV integrase inhibitors | MERCK & CO INC (US) | 2006-11-29 | — | — | CN | disclosed |