Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | MAPT | P10636 | 2/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.57 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | TTR | P02766 | 1/20 | 0.57 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 1/20 | 0.57 |
| ▸ | COMT | P21964 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7263800 | 0.90 | ALDH1A1 (0.56) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| Methyl Alcohol SCHEMBL28215594 | 0.89 | ALDH1A1 (0.55) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| SCHEMBL18779446 | 0.89 | TSHR (0.62) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| SCHEMBL7262531 | 0.83 | GAA (0.60) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| SCHEMBL28746583 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| SCHEMBL18779429 | 0.83 | KMT2A (0.58) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| Monoethanolamine SCHEMBL27927512 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTABCC3ABCC4 | |
| Propionaldehyde SCHEMBL28746585 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTSLC6A2SLC6A3 | |
| SCHEMBL3112702 | 0.81 | TSHR (0.60) | ALDH1A1MAPTHTTSLC6A2SLC6A3 | |
| SCHEMBL406111 | 0.81 | TSHR (0.60) | ALDH1A1GPR35TSHRCYP3A4LMNA |
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-4352942-A | TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1982-10-05 | — | — | US | disclosed |