Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.32 |
| ▸ | PARP1 | P09874 | 7/20 | 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 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
| ▸ | XIAP | P98170 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27666972 | 0.88 | NTRK1 (0.36) | NTRK1PARP1PARP2PARP6PARP3 | |
| SCHEMBL27686147 | 0.87 | HDAC3 (0.34) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL27667163 | 0.82 | NR3C1 (0.34) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL5545421 | 0.76 | PARP1 (0.47) | PARP1 | |
| SCHEMBL5545347 | 0.74 | KDM4E (0.51) | PARP1 | |
| SCHEMBL27667070 | 0.74 | NTRK1 (0.36) | NTRK1PARP1PARP2PARP6PARP3 | |
| SCHEMBL27666982 | 0.73 | BTK (0.34) | PARP1PARP2PARP6PARP3TNKS | |
| SCHEMBL27667206 | 0.71 | SCN9A (0.36) | — | |
| SCHEMBL5547490 | 0.70 | HDAC3 (0.37) | PARP1NR1H2NR1H3 | |
| SCHEMBL27686339 | 0.70 | NTRK1 (0.33) | NTRK1PARP1PIK3CAGRIN2BXIAP |
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 |