Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.36 |
| ▸ | EBP | Q15125 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 2/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 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 | |
|---|---|---|---|---|
| SCHEMBL11596367 | 0.84 | SIGMAR1 (0.40) | SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL5126879 | 0.69 | GBA1 (0.55) | — | |
| SCHEMBL14606988 | 0.69 | GBA1 (0.55) | — | |
| SCHEMBL14606688 | 0.69 | GBA1 (0.55) | — | |
| SCHEMBL25040014 | 0.69 | EPHX2 (0.42) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11621042 | 0.68 | SIGMAR1 (0.54) | SIGMAR1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL14154212 | 0.68 | SLC6A2 (0.38) | SIGMAR1TP53TSHRSLC6A2SLC6A4 | |
| SCHEMBL25041995 | 0.67 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6684345 | 0.67 | SIGMAR1 (0.39) | SIGMAR1SLC6A2SLC6A4SLC6A3NPY1R | |
| SCHEMBL13999431 | 0.64 | CYP2D6 (0.41) | SIGMAR1PLGPRSS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4070400-A | MICROBIOCIDES, ALGICIDES | MERCK & CO., INC. (US) | 1978-01-24 | — | — | US | claimed |