Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 5/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10939019 | 0.89 | ALDH1A1 (0.50) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11693861 | 0.82 | ALDH1A1 (0.37) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11695977 | 0.80 | CYP2A6 (0.48) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11702180 | 0.79 | KCNN4 (0.38) | ALDH1A1MEN1MAPTKMT2ANPSR1 | |
| SCHEMBL8947827 | 0.76 | CYP2A6 (0.52) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11699062 | 0.75 | CYP2A6 (0.43) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL14939969 | 0.73 | ALDH1A1 (0.59) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11698905 | 0.72 | ALDH1A1 (0.39) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL1607796 | 0.71 | ALDH3A1 (0.73) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 | |
| SCHEMBL11696300 | 0.71 | ALDH3A1 (0.56) | ALDH1A3ALDH3A1ALDH1A1CYP2A6CYP2A13 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4002616-A | POLYESTERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-01-11 | — | — | US | disclosed |
| US-3962220-A | ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |
| US-3962221-A | CONDENSATION, REDUCTION, OXIDATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-06-08 | — | — | US | disclosed |