Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 4/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 3/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 3/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19789613 | 0.87 | HTR1D (0.38) | HTR1DHTR1BNPC1ALDH1A1HTT | |
| SCHEMBL31683944 | 0.64 | SLC6A4 (0.50) | HTR1DHTR1B | |
| SCHEMBL15577041 | 0.64 | SLC6A4 (0.50) | HTR1DHTR1B | |
| SCHEMBL13850085 | 0.64 | SRD5A1 (0.46) | HTR1DHTR1BNPC1ALDH1A1HTT | |
| SCHEMBL13620465 | 0.63 | SLC10A2 (0.42) | — | |
| SCHEMBL25317058 | 0.62 | GRIA1 (0.44) | ALDH1A1CA1CA2SRD5A1GRIA2 | |
| SCHEMBL25513210 | 0.62 | HTR1D (0.33) | HTR1DHTR1B | |
| SCHEMBL6160101 | 0.61 | HTR1D (0.55) | HTR1DHTR1B | |
| SCHEMBL6160107 | 0.61 | HTR1D (0.55) | HTR1DHTR1B | |
| SCHEMBL8499319 | 0.61 | HTR1A (0.51) | HTR1DHTR1BMEN1KMT2A |
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-2282991-B1 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2018-01-24 | — | — | EP | disclosed |