Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10885131 | 0.87 | MAPK1 (0.37) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL27609924 | 0.84 | CYP2A6 (0.38) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL14008752 | 0.84 | GABRA1 (0.50) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL11464398 | 0.84 | TDP1 (0.35) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL894932 | 0.81 | CYP3A4 (0.55) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL7704447 | 0.80 | CYP3A4 (0.33) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL109348 | 0.79 | CYP3A4 (0.56) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL11509013 | 0.79 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL28222905 | 0.79 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4TDP1HPGD | |
| SCHEMBL11862224 | 0.78 | GABRA1 (0.46) | GABRA1GABRB2CYP3A4HPGDTRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | 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 |
| US-4163112-A | INSECTICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1979-07-31 | — | — | US | disclosed |