Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 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 | |
|---|---|---|---|---|
| SCHEMBL23139471 | 0.72 | CHRNB2 (0.47) | ALDH1A1F7F3PPARGPPARA | |
| SCHEMBL2957252 | 0.71 | — | — | |
| SCHEMBL2957251 | 0.71 | — | — | |
| SCHEMBL10599906 | 0.71 | EP300 (0.44) | ALDH1A1TSHRF7F3PPARG | |
| SCHEMBL10599903 | 0.71 | EP300 (0.44) | ALDH1A1TSHRF7F3PPARG | |
| SCHEMBL4641972 | 0.70 | TSHR (0.38) | ALDH1A1TSHRF7F3 | |
| SCHEMBL9850727 | 0.69 | EP300 (0.47) | TSHRF7F3PPARGPPARA | |
| SCHEMBL9850729 | 0.69 | EP300 (0.47) | TSHRF7F3PPARGPPARA | |
| SCHEMBL10345673 | 0.69 | EP300 (0.47) | TSHRF7F3PPARGPPARA | |
| SCHEMBL20199395 | 0.69 | EP300 (0.40) | ALDH1A1TSHRF7F3PPARG |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017102893-A1 | WATER-SOLUBLE DERIVATIVES OF 3,5-DIPHENYL-DIAZOLE COMPOUNDS | LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) | 2017-06-22 | — | — | WO | disclosed |