Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.31 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1842489 | 0.79 | — | — | |
| SCHEMBL1842596 | 0.79 | — | — | |
| SCHEMBL19210173 | 0.75 | — | — | |
| SCHEMBL1844000 | 0.74 | — | — | |
| SCHEMBL440959 | 0.71 | CES2 (0.58) | CES2TSHRIDO1ALDH1A1CYP3A4 | |
| SCHEMBL1842351 | 0.71 | — | — | |
| SCHEMBL1842832 | 0.71 | — | — | |
| SCHEMBL81205 | 0.71 | CES2 (0.46) | CES2TSHRIDO1ALDH1A1CYP3A4 | |
| SCHEMBL2159227 | 0.71 | CES2 (0.40) | CES2TSHRIDO1ALDH1A1NOS3 | |
| SCHEMBL146946 | 0.70 | TSHR (0.35) | CES2TSHRALDH1A1NOS3NOS2 |
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-5266668-A | Substituted phenyl α-fluoroacrylates | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-11-30 | — | — | US | disclosed |