Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 7/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3502570 | 0.83 | TSHR (0.62) | ALDH1A1TSHRFAAHATMACHE | |
| SCHEMBL6267179 | 0.82 | DGKA (0.47) | ALDH1A1FAAHATMACHENAAA | |
| SCHEMBL6151933 | 0.80 | TSHR (0.66) | ALDH1A1TSHRATMACHEHSD17B10 | |
| Acetic Acid Butyl Ester SCHEMBL9788282 | 0.78 | ALDH1A1 (0.90) | ALDH1A1TSHRFAAHATMNAAA | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRFAAHATMNAAA | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.77 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRFAAHATMNAAA | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRFAAHATMNAAA | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.77 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL10950974 | 0.77 | ALDH1A1 (0.72) | ALDH1A1TSHRFAAHATMNAAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005103061-A1 | METHOD OF MANUFACTURING AN ORGANOALKOXYSILANE HAVING ESTER-FUNCTIONAL GROUPS | DOW CORNING TORAY CO., LTD. (JP) | 2005-11-03 | — | — | WO | disclosed |