Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.86 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.86 |
| ▸ | F3 | P13726 | 2/20 | 0.53 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Anisaldehyde SCHEMBL2239445 | 0.93 | ALDH1A1 (0.91) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL717471 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL1100 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL31123393 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL1475478 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL1477047 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL28541013 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL29966134 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL11255570 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB | |
| Anisaldehyde SCHEMBL28523745 | 0.91 | ALDH1A1 (0.95) | ALDH1A1CYP2A6F3ALDH1A3THRB |
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-5770041-A | Non-enolizable oxygenates as antifoulants | NALCO/EXXON ENERGY CHEMICALS, L.P. (US) | 1998-06-23 | — | — | US | disclosed |