Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 6/20 | 0.44 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30051131 | 0.98 | ALDH1A1 (0.63) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| SCHEMBL24929487 | 0.96 | ALDH1A1 (0.65) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Butyl Ester SCHEMBL29163443 | 0.94 | ALDH1A1 (0.69) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Butyl Ester SCHEMBL29163494 | 0.94 | ALDH1A1 (0.69) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Butyl Ester SCHEMBL29163467 | 0.94 | ALDH1A1 (0.69) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Propyl Ester SCHEMBL29163407 | 0.90 | ALDH1A1 (0.57) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Propyl Ester SCHEMBL29163426 | 0.90 | ALDH1A1 (0.57) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Hydrochloric Acid SCHEMBL9558506 | 0.90 | ALDH1A1 (0.57) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| Acetic Acid Propyl Ester SCHEMBL29163457 | 0.90 | ALDH1A1 (0.57) | ALDH1A1FAAHTSHRPAOXEPHX1 | |
| SCHEMBL23787609 | 0.90 | ALDH1A1 (0.61) | ALDH1A1FAAHTSHRPAOXEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112759528-B | Imine ester compound and preparation method thereof | 中国石油化工股份有限公司 | 2023-10-13 | — | — | CN | disclosed |