Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL13684349 | 0.89 | ALDH1A1 (0.67) | ALDH1A1TDP1MAPTATMHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL4514621 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TDP1MAPTATMHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL1261472 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPTATMHSD17B10 | |
| SCHEMBL3380873 | 0.84 | TDP1 (0.53) | ALDH1A1TDP1MAPTHSD17B10TSHR | |
| Acetic Acid Pentyl Ester SCHEMBL27566856 | 0.83 | ALDH1A1 (0.59) | ALDH1A1MAPTHSD17B10TSHRHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL9314217 | 0.83 | ALDH1A1 (0.64) | ALDH1A1TDP1MAPTATMHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL2692488 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TDP1MAPTATMHSD17B10 | |
| SCHEMBL6866329 | 0.83 | TDP1 (0.51) | ALDH1A1TDP1MAPTHSD17B10TSHR | |
| Methyl Alcohol SCHEMBL16195772 | 0.82 | TDP1 (0.47) | ALDH1A1TDP1MAPTHSD17B10TSHR | |
| Acetic Acid Butyl Ester SCHEMBL534058 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TDP1MAPTATMTSHR |
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-2550962-B1 | Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof | BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) | 2019-10-30 | — | — | EP | disclosed |
| EP-2550962-A2 | Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof | Merial Limited (US) | 2013-01-30 | — | — | EP | disclosed |