Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.32 |
| ▸ | PARP6 | Q2NL67 | 2/20 | 0.32 |
| ▸ | PARP3 | Q9Y6F1 | 2/20 | 0.32 |
| ▸ | TNKS | O95271 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27686147 | 0.90 | HDAC3 (0.34) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL27667166 | 0.82 | NTRK1 (0.32) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL5547490 | 0.77 | HDAC3 (0.37) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL5546928 | 0.74 | TDP1 (0.36) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL27666982 | 0.74 | BTK (0.34) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL27667160 | 0.74 | GRM2 (0.34) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL27667159 | 0.74 | HDAC3 (0.35) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL5546798 | 0.73 | GPR52 (0.38) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL5540956 | 0.73 | TDP1 (0.40) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL27667170 | 0.73 | BTK (0.33) | PARP1PARP2PARP6PARP3TNKS |
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 |
|---|---|---|---|---|---|---|---|
| CN-1976915-A | HIV integrase inhibitors | SMITHKLINE BEECHAM CORP (US) | 2007-06-06 | — | — | CN | disclosed |