Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | PLAT | P00750 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3944447 | 0.99 | NPC1 (0.43) | NPC1RAB9AHSP90AA1SLC2A1ROCK2 | |
| SCHEMBL13943971 | 0.86 | MELK (0.46) | NPC1RAB9AHSP90AA1SLC2A1ROCK2 | |
| SCHEMBL13944614 | 0.85 | CD274 (0.42) | NPC1RAB9AHSP90AA1SLC2A1ROCK2 | |
| SCHEMBL3942819 | 0.84 | SLC2A1 (0.45) | NPC1RAB9ASLC2A1ROCK2F2 | |
| SCHEMBL13944420 | 0.84 | PTK2 (0.44) | NPC1RAB9AHSP90AA1ROCK2F2 | |
| Hydrochloric Acid SCHEMBL3946111 | 0.83 | SLC2A1 (0.46) | NPC1RAB9ASLC2A1ROCK2F2 | |
| SCHEMBL3946101 | 0.82 | SLC2A1 (0.41) | NPC1RAB9ASLC2A1ROCK2F2 | |
| SCHEMBL13943970 | 0.82 | PTGER1 (0.43) | NPC1RAB9ASLC2A1F2PLG | |
| Hydrochloric Acid SCHEMBL3941166 | 0.81 | SLC2A1 (0.42) | NPC1RAB9ASLC2A1ROCK2F2 | |
| SCHEMBL3941845 | 0.81 | NPC1 (0.40) | NPC1RAB9AHSP90AA1ROCK2F2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009016216-A1 | TRIAZOLE DERIVATIVES AS SCD INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-05 | — | — | WO | claimed |
| WO-2009016216-A1 | TRIAZOLE DERIVATIVES AS SCD INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-02-05 | — | — | WO | disclosed |