Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 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 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MELK | Q14680 | 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 SCHEMBL3939653 | 0.99 | S1PR1 (0.42) | S1PR1NPC1RAB9AKDM4EMAPK1 | |
| SCHEMBL13944421 | 0.81 | THRB (0.51) | NPC1RAB9AKDM4ESMN1; SMN2MAPT | |
| SCHEMBL13943968 | 0.80 | MAPT (0.48) | S1PR1USP28SLC2A1F2PLG | |
| SCHEMBL3611038 | 0.79 | PTGDR2 (0.47) | RAB9AUSP28PTGDR2SLC2A1F2 | |
| SCHEMBL3942819 | 0.79 | SLC2A1 (0.45) | S1PR1NPC1RAB9AKDM4ESLC2A1 | |
| Hydrochloric Acid SCHEMBL3602662 | 0.79 | PTGDR2 (0.47) | RAB9AUSP28PTGDR2SLC2A1F2 | |
| Hydrochloric Acid SCHEMBL3946111 | 0.78 | SLC2A1 (0.46) | S1PR1NPC1RAB9AKDM4ESLC2A1 | |
| SCHEMBL3943729 | 0.78 | MELK (0.44) | S1PR1NPC1RAB9AKDM4EMAPK1 | |
| SCHEMBL13504961 | 0.77 | USP28 (0.44) | USP28PTGDR2SLC2A1F2PLG | |
| Hydrochloric Acid SCHEMBL3948321 | 0.77 | MELK (0.43) | S1PR1NPC1RAB9AKDM4EMAPK1 |
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 |