Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1899851 | 0.80 | CYP3A4 (0.50) | CYP3A4TSHRHSD17B10TRPA1GABRA1 | |
| SCHEMBL11646222 | 0.80 | HSD17B10 (0.59) | HSD17B10SLC6A4MAOAGABRA1GABRB2 | |
| SCHEMBL11531569 | 0.80 | CYP3A4 (0.50) | CYP3A4TSHRHSD17B10TRPA1GABRA1 | |
| Butane SCHEMBL16872374 | 0.78 | CYP3A4 (0.62) | CYP3A4TSHRTRPA1GABRA1GABRB2 | |
| SCHEMBL2651634 | 0.78 | GABRA1 (0.42) | CYP3A4TSHRTRPA1SLC6A4MAOA | |
| SCHEMBL546217 | 0.77 | CYP3A4 (0.50) | CYP3A4TSHRHSD17B10TRPA1SLC6A4 | |
| SCHEMBL11215338 | 0.77 | CYP3A4 (0.43) | CYP3A4TSHRHSD17B10TRPA1GABRA1 | |
| SCHEMBL739866 | 0.76 | CYP3A4 (0.54) | CYP3A4TSHRHSD17B10TRPA1GABRA1 | |
| SCHEMBL484003 | 0.76 | CYP3A4 (0.54) | CYP3A4TSHRHSD17B10TRPA1MAOA | |
| SCHEMBL8870019 | 0.76 | HSD17B10 (0.73) | CYP3A4TSHRHSD17B10CYP1A2GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4996208-A | Pesticidal thiazolopyrimidine derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-26 | — | — | US | disclosed |
| EP-0348746-A2 | Thiazolopyrimidine derivatives, process for their preparation and their use as pest control agents | BAYER AG (DE) | 1990-01-03 | — | — | EP | disclosed |
| US-4174398-A | Combating fungi with 1-alkyl-1-(1,3,4-thiadiazol-2-yl)-3-phenyl-ureas | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-13 | — | — | US | disclosed |