Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL68355 | 0.81 | CASP1 (0.33) | ALDH1A1MAPTKDM4EHTTGAA | |
| SCHEMBL11663670 | 0.80 | MEN1 (0.52) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| SCHEMBL11663652 | 0.77 | MEN1 (0.48) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| SCHEMBL11882984 | 0.75 | KMT2A (0.39) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| SCHEMBL6445365 | 0.72 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| Chlorothalonil SCHEMBL1487631 | 0.69 | MEN1 (1.00) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| Chlorothalonil SCHEMBL8200626 | 0.69 | MEN1 (1.00) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| Chlorothalonil SCHEMBL21254 | 0.69 | MEN1 (1.00) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| Chlorothalonil SCHEMBL8574863 | 0.69 | MEN1 (1.00) | ALDH1A1SMN1; SMN2KMT2AHPGDCYP3A4 | |
| SCHEMBL10813621 | 0.69 | CASP1 (0.31) | SMN1; SMN2HPGDLMNAHTTL3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1696727-B1 | SYNERGISTIC INSECTICIDAL MIXTURES | BAYER CROPSCIENCE AG (DE) | 2009-04-08 | — | — | EP | disclosed |