Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.54 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.50 |
| ▸ | FEN1 | P39748 | 2/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.48 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.48 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.48 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.46 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7101846 | 0.84 | BCAT2 (0.50) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL27771531 | 0.84 | AR (0.57) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL30938036 | 0.84 | BCAT2 (0.50) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL21810127 | 0.83 | BCAT2 (0.47) | BCAT2ALOX5APFEN1CSNK1A1TYRO3 | |
| SCHEMBL31032076 | 0.80 | PARP1 (0.44) | TGFBR1SYK | |
| SCHEMBL27797650 | 0.79 | CDC7 (0.57) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL5878337 | 0.77 | BCAT2 (0.87) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL30798857 | 0.77 | QPCT (0.49) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL30341875 | 0.77 | QPCT (0.63) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 | |
| SCHEMBL5225861 | 0.77 | BCAT2 (0.49) | BCAT2ALOX5APFEN1CHEK1CSNK1A1 |
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 |