Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7961516 | 0.91 | GPR88 (0.40) | GPR88SMYD3GAAKMT2ACYP3A4 | |
| SCHEMBL6475667 | 0.88 | ALDH1A1 (0.35) | SMYD3KMT2ACYP3A4MEN1NPY1R | |
| SCHEMBL7961955 | 0.87 | GPR88 (0.44) | GPR88SMYD3GAAKMT2ACYP3A4 | |
| SCHEMBL8657729 | 0.86 | GAA (0.37) | GAAHSD11B1 | |
| SCHEMBL7950103 | 0.85 | GPR88 (0.41) | GPR88SMYD3GAACYP3A4MAPT | |
| SCHEMBL7960746 | 0.85 | GPR88 (0.44) | GPR88SMYD3GAAKMT2ACYP3A4 | |
| SCHEMBL7964480 | 0.84 | CXCR5 (0.38) | SMYD3KMT2AMEN1POLBALDH1A1 | |
| SCHEMBL7949841 | 0.84 | GPR88 (0.44) | GPR88SMYD3GAAKMT2ACYP3A4 | |
| SCHEMBL7960096 | 0.82 | ALDH1A1 (0.42) | GPR88SMYD3GAAKMT2ACYP3A4 | |
| SCHEMBL7960895 | 0.82 | GPR88 (0.45) | GPR88SMYD3GAAKMT2ACYP3A4 |
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-6172255-B1 | INSECTICIDES; MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-01-09 | — | — | US | disclosed |
| US-5830826-A | Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-11-03 | — | — | US | disclosed |