Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.30 |
| ▸ | ECE1 | P42892 | 1/20 | 0.30 |
| ▸ | TERT | O14746 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12081771 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL9114992 | 0.74 | TSHR (0.39) | ALDH1A1CYP2C19TSHRECE1 | |
| SCHEMBL4760488 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL14502905 | 0.73 | — | — | |
| SCHEMBL2554762 | 0.73 | ECE1 (0.43) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL38654455 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL152135 | 0.72 | — | — | |
| SCHEMBL14370377 | 0.71 | ALDH1A1 (0.41) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL10709279 | 0.71 | PAOX (0.41) | ALDH1A1CYP2C9HPGDALOX15CYP2C19 | |
| SCHEMBL9112346 | 0.71 | CA1 (0.35) | ECE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5561162-A | SYSTEMIC PESTICIDES; NEMATOCIDES; INSECTICIDES; MITICIDES; EFFICIENCY; CROPS | MONSANTO COMPANY (US) | 1996-10-01 | — | — | US | claimed |
| US-5389680-A | Insecticides, nematocides, miticides | MONSANTO COMPANY (US) | 1995-02-14 | — | — | US | claimed |
| CN-1269136-A | Fluoric alkenyl compound and use as insect repellent agent | MONSANTO CO (US) | 2000-10-11 | — | — | CN | disclosed |