Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 10/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.35 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.35 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.35 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3654644 | 0.89 | HTR2C (0.38) | GLSKMT2AHTR2CSLC6A4 | |
| SCHEMBL3651795 | 0.87 | MEP1B (0.38) | ABCC9ABCC8KCNJ11KCNJ8CLK1 | |
| Carbamic Acid SCHEMBL3651234 | 0.86 | HTR2C (0.37) | GLSKMT2AHTR2CSLC6A4 | |
| SCHEMBL4129164 | 0.86 | HTR6 (0.38) | HTR6KMT2A | |
| SCHEMBL3652101 | 0.82 | KAT6A (0.36) | ABCC9ABCC8KCNJ11KCNJ8CLK1 | |
| SCHEMBL4029601 | 0.79 | ABCC9 (0.36) | HTR6ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL3654959 | 0.77 | AR (0.36) | CLK1CLK2DYRK1ACLK4DYRK1B | |
| Hydrochloric Acid SCHEMBL3654116 | 0.76 | HTR6 (0.35) | HTR6GLSHTR2AHTR2C | |
| SCHEMBL22013593 | 0.75 | CACNA1G (0.36) | RIPK1GLSHTR2AHTR2CSLC6A4 | |
| SCHEMBL3647494 | 0.75 | GLS (0.35) | GLSHTR2CSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009041705-A9 | 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-13 | — | — | WO | disclosed |