Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA7 | P43166 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3666515 | 0.77 | ALDH1A1 (0.42) | CES2CA12CA1CA2CA7 | |
| SCHEMBL31493196 | 0.77 | ALDH1A1 (0.42) | CES2ALDH1A1MEN1GAAKMT2A | |
| SCHEMBL27973657 | 0.77 | ALDH1A1 (0.42) | CES2CA12CA1CA2CA7 | |
| SCHEMBL31493221 | 0.77 | ALDH1A1 (0.42) | CES2CA12CA1CA2CA7 | |
| SCHEMBL31493220 | 0.77 | ALDH1A1 (0.42) | CES2CA12CA1CA2CA7 | |
| SCHEMBL28698198 | 0.77 | HSD17B10 (0.50) | CES2CA12CA1CA2CA7 | |
| SCHEMBL5369877 | 0.76 | CES2 (0.67) | CES2CA12CA1CA2CA7 | |
| SCHEMBL1329143 | 0.76 | CES2 (0.67) | CES2CA12CA1CA2CA7 | |
| SCHEMBL28013376 | 0.76 | CES2 (0.54) | CES2CA12CA1CA2CA7 | |
| SCHEMBL28866594 | 0.73 | CES2 (0.50) | CES2CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| US-4457936-A | ENZYME INHIBITORS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-07-03 | — | — | US | disclosed |
| US-4008264-A | Process for the preparation of aromatic thiocarboxylic acid amides | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-02-15 | — | — | US | disclosed |