Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 SCHEMBL3043571 | 0.87 | ALDH1A1 (0.82) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL9788282 | 0.87 | ALDH1A1 (0.90) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.87 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.87 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.87 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.87 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.87 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28809980 | 0.85 | ALDH1A1 (0.78) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28170346 | 0.85 | ALDH1A1 (0.78) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28276473 | 0.85 | ALDH1A1 (0.86) | ALDH1A1ATMTSHRHPGDHCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4539359-A | REPAIRABLE PAINTS | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1985-09-03 | — | — | US | disclosed |