Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.76 |
| ▸ | CES1 | P23141 | 5/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL273857 | 0.87 | CES2 (1.00) | CES2CES1ALDH1A1ALOX15TSHR | |
| SCHEMBL716295 | 0.87 | CES2 (1.00) | CES2CES1CA1CA2 | |
| SCHEMBL698985 | 0.86 | MAPK1 (0.64) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL9421734 | 0.86 | MAPK1 (0.64) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL8700603 | 0.84 | ALDH1A1 (0.53) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL16340223 | 0.80 | CES2 (0.84) | CES2CES1ALDH1A1HTTTSHR | |
| Acetone SCHEMBL27965461 | 0.80 | ALDH1A1 (0.48) | CES2CES1ALDH1A1HTTALOX15 | |
| Urea SCHEMBL28292921 | 0.80 | ALDH1A1 (0.48) | CES2CES1ALDH1A1HTTALOX15 | |
| SCHEMBL7024646 | 0.79 | — | — | |
| SCHEMBL5776485 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0596395-B1 | Process for the preparation of fluorinated benzil | CLARIANT GMBH (DE) | 2000-06-28 | — | — | EP | disclosed |
| US-5463135-A | Fluorinated benzils and a process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0596395-A1 | Fluorinated benzils and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-05-11 | — | — | EP | disclosed |