Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 1/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1008825 | 0.94 | ALDH1A1 (0.51) | ALDH1A1TSHRCHRM5SLC6A4 | |
| SCHEMBL6161958 | 0.88 | ALDH1A1 (0.47) | ALDH1A1TSHRCHRM5SLC6A4 | |
| SCHEMBL6563991 | 0.86 | SLC6A4 (0.47) | ALDH1A1TSHRKIF11CHRM5SLC6A4 | |
| SCHEMBL22621116 | 0.83 | SLC6A4 (0.51) | ALDH1A1TSHRGRM2KIF11SERPINE1 | |
| SCHEMBL9425434 | 0.82 | TSHR (0.53) | ALDH1A1TSHRGRM2KIF11SERPINE1 | |
| SCHEMBL2056279 | 0.82 | TSHR (0.53) | ALDH1A1TSHRGRM2KIF11SERPINE1 | |
| SCHEMBL4592087 | 0.80 | PRMT6 (0.61) | CHRM5SCN5A | |
| SCHEMBL1549919 | 0.80 | CHRM5 (0.46) | ALDH1A1CHRM5SCN5A | |
| Hydrochloric Acid SCHEMBL30767633 | 0.80 | CHRM5 (0.43) | ALDH1A1GRM2CHRM5SCN5A | |
| SCHEMBL5539563 | 0.80 | KIF11 (0.45) | ALDH1A1TSHRGRM2KIF11SERPINE1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019104011-A1 | CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE | BIOMARIN PHARMACEUTICAL INC. (US) | 2019-05-31 | — | — | WO | disclosed |
| US-7674825-B2 | Dicarboxylic acid derivatives with pharmaceutical properties | BAYER AKTIENGESELLSCHAFT (DE) | 2010-03-09 | — | — | US | disclosed |