Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ACE | P12821 | 5/20 | 0.48 |
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9727314 | 0.85 | DPP4 (0.49) | ALDH1A1HPGDACEDPP4CYP3A4 | |
| SCHEMBL9727504 | 0.81 | FKBP1A (0.53) | ALDH1A1HPGDHSD17B10 | |
| SCHEMBL9538232 | 0.81 | ALDH1A1 (0.48) | ALDH1A1HPGDACEITGB3ITGB1 | |
| SCHEMBL3606253 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDDPP4HSD17B10 | |
| SCHEMBL9727465 | 0.78 | DPP4 (0.46) | ALDH1A1HPGDACEDPP4CYP3A4 | |
| SCHEMBL13168009 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDDPP4HSD17B10 | |
| SCHEMBL13619247 | 0.77 | ALDH1A1 (0.47) | ALDH1A1HPGDACEITGB3ITGB1 | |
| SCHEMBL9535862 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDDPP4CYP3A4CYP2D6 | |
| SCHEMBL3183667 | 0.76 | ACE (0.55) | ALDH1A1HPGDACE | |
| SCHEMBL6039762 | 0.76 | ACE (0.55) | ALDH1A1HPGDACE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0355599-B1 | 3-ARYL-PYRROLIDINE-2,4-DIONES | BAYER AG (DE) | 1993-05-19 | — | — | EP | disclosed |
| US-5142065-A | Intermediates for herbicides, fungicides, miticides and insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-08-25 | — | — | US | disclosed |
| US-5091537-A | Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent | BAYER AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | disclosed |
| US-4985063-A | INSECTICIDES, MITICIDES, HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0355599-A1 | 3-Aryl-pyrrolidine-2,4-diones | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |