Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15430213 | 0.98 | GAA (0.50) | GAACES2CES1CNR2IDO1 | |
| SCHEMBL2628067 | 0.98 | GAA (0.50) | GAACES2CES1CNR2IDO1 | |
| SCHEMBL29557378 | 0.98 | GAA (0.50) | GAACES2CES1CNR2IDO1 | |
| SCHEMBL27967493 | 0.98 | GAA (0.50) | GAACES2CES1CNR2IDO1 | |
| Hydrochloric Acid SCHEMBL23886485 | 0.96 | GAA (0.49) | GAACES2CES1CNR2IDO1 | |
| Hydrochloric Acid SCHEMBL25195986 | 0.96 | GAA (0.49) | GAACES2CES1CNR2IDO1 | |
| SCHEMBL24044801 | 0.83 | MEN1 (0.48) | MEN1CYP1A2KMT2ACYP3A4GRM1 | |
| SCHEMBL27966275 | 0.82 | CES2 (0.50) | GAACES2CES1CNR2MEN1 | |
| Hydrochloric Acid SCHEMBL27841046 | 0.82 | MEN1 (0.41) | GAACES2CES1CNR2IDO1 | |
| SCHEMBL11214243 | 0.82 | GAA (0.50) | GAACES2CES1CNR2IDO1 |
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-6300517-B1 | SUITABLE AS CONSTITUENTS OF METAL COMPLEXES WHICH CAN BE USED AS CATALYSTS FOR REACTIONS TO FORM C--C, C--H, C--N, C--SI OR C--O BONDS | CELANESE GMBH (DE) | 2001-10-09 | — | — | US | disclosed |