Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | S100B | P04271 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | SKP2 | Q13309 | 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 | |
|---|---|---|---|---|
| SCHEMBL12003617 | 0.97 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCYP3A4S100B | |
| SCHEMBL2113009 | 0.93 | TDP1 (0.42) | ALDH1A1TDP1TSHRCYP3A4S100B | |
| SCHEMBL699377 | 0.92 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRCYP3A4S100B | |
| SCHEMBL698093 | 0.80 | LMNA (0.35) | ALDH1A1TDP1TSHRLMNATHRB | |
| SCHEMBL699375 | 0.80 | TDP1 (0.42) | ALDH1A1TDP1TSHRCYP3A4S100B | |
| SCHEMBL4157946 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRCYP3A4S100B | |
| SCHEMBL4145466 | 0.78 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRLMNATHRB | |
| SCHEMBL698160 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TDP1TSHRCYP3A4LMNA | |
| SCHEMBL2112399 | 0.74 | — | — | |
| SCHEMBL4142499 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2423188-A1 | Agricultural/Horticultural Insecticide and Method for Using the Same | MITSUI CHEMICALS AGRO, INC. (JP) | 2012-02-29 | — | — | EP | disclosed |
| EP-1661886-A1 | INSECTICIDE FOR AGRICULTURAL OR HORTICULTURAL USE AND METHOD OF USE THEREOF | Mitsui Chemicals, Inc. (JP) | 2006-05-31 | — | — | EP | disclosed |