Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11230910 | 0.86 | AKR1B1 (0.45) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL31192373 | 0.81 | AKR1B1 (0.38) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL9066662 | 0.81 | AKR1B1 (0.38) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL9662600 | 0.81 | FABP3 (0.43) | CYP3A4TSHRMAPK1 | |
| SCHEMBL11230917 | 0.81 | AKR1B1 (0.41) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL9655860 | 0.79 | CYP3A4 (0.33) | CYP3A4HPGDHSD17B10 | |
| SCHEMBL9575524 | 0.79 | HPGD (0.33) | CYP3A4HPGDTSHRHSD17B10MAPK1 | |
| SCHEMBL31612518 | 0.75 | AKR1B1 (0.42) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL9066558 | 0.74 | AKR1B1 (0.38) | AKR1B1CYP3A4HPGDTSHRHSD17B10 | |
| SCHEMBL9578925 | 0.74 | CYP1A2 (0.33) | — |
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 4 patents. 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 |
| US-5129031-A | Heat resistance | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |
| EP-0249867-B1 | SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-01-02 | — | — | EP | disclosed |
| EP-0249867-A2 | Substituted phenyl esters of alpha-fluoroacrylic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-23 | — | — | EP | disclosed |