Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL2764092 | 0.93 | ALDH1A1 (0.53) | ALDH1A1TSHRHCAR2PRKCANAAA | |
| SCHEMBL16024 | 0.83 | — | — | |
| SCHEMBL1469692 | 0.82 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRHPGDCA1 | |
| Acetic Acid Butyl Ester SCHEMBL10949574 | 0.80 | ALDH1A1 (0.75) | ALDH1A1ATMTSHRHPGDCA1 | |
| Acetic Acid Butyl Ester SCHEMBL9788282 | 0.79 | ALDH1A1 (0.90) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL8026335 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.79 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL14969 | 0.79 | — | — | |
| Acetic Acid Butyl Ester SCHEMBL28984633 | 0.79 | ALDH1A1 (1.00) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28960923 | 0.79 | ALDH1A1 (1.00) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4198094-A1 | MULTILAYER STRUCTURE ON METAL SUBSTRATES BASED ON POLYASPARTATE COATINGS | Covestro Deutschland AG (DE) | 2023-06-21 | — | — | EP | disclosed |
| US-6162886-A | Copolymers which contain hydroxyl groups and a method of producing them | HERBERTS GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-12-19 | — | — | US | disclosed |