Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5308537 | 0.86 | SLC2A1 (0.36) | HSD17B13DRD2SLC6A3SLC2A1PTGDR2 | |
| Hydrochloric Acid SCHEMBL5308736 | 0.85 | SLC2A1 (0.36) | HSD17B13DRD2SLC6A3SLC2A1PTGDR2 | |
| SCHEMBL5577157 | 0.84 | SLC2A1 (0.37) | HSD17B13DRD2SLC6A3SLC2A1HDAC6 | |
| Hydrochloric Acid SCHEMBL5310762 | 0.84 | SLC2A1 (0.36) | HSD17B13DRD2SLC6A3SLC2A1HDAC6 | |
| SCHEMBL6034801 | 0.80 | NPC1 (0.48) | ACHE | |
| Hydrochloric Acid SCHEMBL4850400 | 0.79 | NPC1 (0.48) | ACHE | |
| SCHEMBL13987581 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL6034260 | 0.75 | HDAC6 (0.37) | HSD17B13DRD2SLC6A3PTGDR2HDAC6 | |
| SCHEMBL5577106 | 0.74 | PTGS1 (0.36) | HSD17B13DRD2SLC6A3PTGDR2HDAC6 | |
| SCHEMBL5308103 | 0.74 | PTGS1 (0.36) | HSD17B13SLC2A1PTGDR2HDAC6HTR2C |
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-2007052831-A1 | PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-05-10 | — | — | WO | disclosed |