Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 2/20 | 0.32 |
| ▸ | XIAP | P98170 | 1/20 | 0.31 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL27667070 | 0.84 | NTRK1 (0.36) | NTRK1XIAPBIRC2GRM2PARP1 | |
| SCHEMBL27666972 | 0.81 | NTRK1 (0.36) | NTRK1XIAPBIRC2GRM2PARP1 | |
| SCHEMBL27686180 | 0.77 | GRM2 (0.34) | GRM2 | |
| SCHEMBL27667063 | 0.74 | GRM2 (0.34) | XIAPBIRC2GRM2PARP1 | |
| SCHEMBL27666982 | 0.72 | BTK (0.34) | GRM2PARP1HSD17B10 | |
| SCHEMBL5546423 | 0.71 | TDP1 (0.40) | GRM2HSD17B10GRIN2B | |
| SCHEMBL27667075 | 0.70 | GRM2 (0.33) | GRM2 | |
| SCHEMBL27667206 | 0.70 | SCN9A (0.36) | GRM2 | |
| SCHEMBL5539022 | 0.69 | NTRK1 (0.39) | NTRK1XIAPBIRC2PARP1AURKA | |
| SCHEMBL27667170 | 0.69 | BTK (0.33) | GRM2PARP1HSD17B10 |
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 |