Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 5/20 | 0.39 |
| ▸ | HTR6 | P50406 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6528580 | 0.90 | HTR6 (0.40) | TYRHTR6ACHEPTGS2ALOX15 | |
| SCHEMBL6920471 | 0.83 | TYR (0.39) | TYRACHEMAPTRECQLPTGS2 | |
| SCHEMBL6529962 | 0.76 | GRM5 (0.39) | TYRACHEDRD3DRD2DRD4 | |
| SCHEMBL6529525 | 0.75 | GRM1 (0.55) | HTR6 | |
| SCHEMBL6925271 | 0.72 | TYR (0.38) | TYRACHEMAPTRECQLPTGS2 | |
| SCHEMBL6533328 | 0.72 | MAPT (0.41) | TYRMAPTDRD3AMY1AHTR1A | |
| SCHEMBL6528269 | 0.69 | GRM1 (0.41) | TYRPTGS2ALOX15DRD3HTR1A | |
| SCHEMBL5623713 | 0.69 | ALDH1A1 (0.45) | TYRMAPTALOX15ALDH1A1 | |
| SCHEMBL6532725 | 0.68 | TYR (0.39) | TYRACHEPTGS2ALOX15DRD3 | |
| SCHEMBL6527437 | 0.67 | CDK9 (0.34) | HTR6MAPTALOX15DRD3HTR1A |
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-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |