Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | ALOX15 | P16050 | 3/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 2/20 | 1.00 |
| ▸ | TSHR | P16473 | 2/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.69 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL331031 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL12211313 | 0.92 | ALDH1A1 (0.85) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL12211315 | 0.92 | ALDH1A1 (0.85) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL715694 | 0.83 | ALDH1A1 (0.70) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL10109640 | 0.83 | ALDH1A1 (0.70) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| Malathion SCHEMBL3705116 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| Malathion SCHEMBL124812 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| Malathion SCHEMBL27358 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| SCHEMBL10148165 | 0.81 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4TSHRTDP1 | |
| Malathion SCHEMBL21693725 | 0.81 | ALDH1A1 (0.97) | ALDH1A1ALOX15CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0071463-A1 | Thiolcarbamate compounds, and their production and use | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-02-09 | — | — | EP | disclosed |