Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | CTSA | P10619 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29557378 | 0.82 | GAA (0.50) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL27967493 | 0.82 | GAA (0.50) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL15430213 | 0.82 | GAA (0.50) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL2628067 | 0.82 | GAA (0.50) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL11214243 | 0.82 | GAA (0.50) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL27903880 | 0.81 | ALDH1A1 (0.53) | CES2CES1GAACNR2MEN1 | |
| Hydrochloric Acid SCHEMBL25195986 | 0.80 | GAA (0.49) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL18117403 | 0.80 | CES2 (0.46) | CES2CES1GAACNR2IDO1 | |
| SCHEMBL7920121 | 0.80 | GAA (0.49) | CES2CES1GAACNR2IDO1 | |
| Hydrochloric Acid SCHEMBL23886485 | 0.80 | GAA (0.49) | CES2CES1GAACNR2IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4329454-A | Cephalosporin compounds | ELI LILLY AND COMPANY (US) | 1982-05-11 | — | — | US | disclosed |