Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 8/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | FPR2 | P25090 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6474415 | 0.87 | CYP2C9 (0.47) | GPR88CYP2C9CYP2C19KEAP1MEN1 | |
| SCHEMBL7960070 | 0.86 | GPR88 (0.59) | GPR88MEN1KMT2AGAAAKR1C3 | |
| SCHEMBL24045922 | 0.81 | CXCR1 (0.59) | CYP2C9MEN1KMT2AGAAATM | |
| SCHEMBL21274381 | 0.81 | CA2 (0.64) | CYP2C9CYP2C19KEAP1MEN1KMT2A | |
| SCHEMBL21274384 | 0.81 | CA2 (0.64) | CYP2C9CYP2C19KEAP1MEN1KMT2A | |
| SCHEMBL3143530 | 0.80 | GPR88 (0.62) | GPR88CYP2C19MEN1KMT2AGAA | |
| SCHEMBL7958317 | 0.80 | GPR88 (0.62) | GPR88CYP2C19MEN1KMT2AGAA | |
| SCHEMBL27469288 | 0.77 | CYP2C9 (0.48) | CYP2C9CYP2C19KEAP1MEN1KMT2A | |
| SCHEMBL7960075 | 0.77 | GPR88 (0.59) | GPR88 | |
| SCHEMBL7870090 | 0.76 | ATM (0.60) | CYP2C9CYP2C19MEN1KMT2AALDH1A1 |
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 |