Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3811604 | 0.92 | NPSR1 (0.41) | NPSR1KDM4ERXFP1HSD17B1HSD17B2 | |
| SCHEMBL3816632 | 0.90 | NPSR1 (0.49) | NPSR1KDM4ERXFP1MEN1ALDH1A1 | |
| SCHEMBL3809030 | 0.89 | ALDH1A1 (0.46) | NPSR1KDM4ERXFP1MEN1ALDH1A1 | |
| SCHEMBL3812602 | 0.89 | NPSR1 (0.46) | NPSR1KDM4ERXFP1HSD17B1HSD17B2 | |
| SCHEMBL3813398 | 0.88 | METAP2 (0.43) | NPSR1 | |
| SCHEMBL3807312 | 0.88 | NPSR1 (0.53) | NPSR1KDM4ERXFP1 | |
| SCHEMBL3815294 | 0.88 | NPSR1 (0.42) | NPSR1KDM4ERXFP1HSD17B1HSD17B2 | |
| SCHEMBL3811426 | 0.88 | RAD52 (0.47) | NPSR1MEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3816724 | 0.88 | ACLY (0.47) | PTGES2NPSR1 | |
| SCHEMBL3816695 | 0.87 | NPSR1 (0.42) | NPSR1KDM4ERXFP1HSD17B1HSD17B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401825-B1 | THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION | VIROCHEM PHARMA INC (CA) | 2009-08-05 | — | — | EP | claimed |