Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA6 | P23280 | 2/20 | 0.32 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.31 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | ATP4A | P20648 | 1/20 | 0.30 |
| ▸ | ATP4B | P51164 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL10940831 | 0.83 | POLB (0.35) | POLBCA1CA2CA4CA6 | |
| SCHEMBL11127944 | 0.83 | NOS3 (0.34) | MAPT | |
| SCHEMBL25988171 | 0.82 | PTGS1 (0.36) | PTGS1PTGS2CA1CA2MT-CO1 | |
| SCHEMBL10803375 | 0.82 | SKP2 (0.42) | ALDH1A1MAPTPTGS1PTGS2CA1 | |
| SCHEMBL10625068 | 0.79 | PARP1 (0.37) | ALDH1A1MAPTPTGS1PTGS2CA1 | |
| SCHEMBL19919045 | 0.78 | ALDH1A1 (0.38) | ALDH1A1POLBMAPTATP4AATP4B | |
| SCHEMBL10939631 | 0.78 | ALDH1A1 (0.36) | ALDH1A1MAPTCA1CA2CA4 | |
| SCHEMBL10943015 | 0.78 | PTGS1 (0.38) | PTGS1PTGS2CA1CA2CA4 | |
| SCHEMBL9910784 | 0.78 | ALDH1A1 (0.40) | ALDH1A1POLBMAPTATP4AATP4B | |
| SCHEMBL10943037 | 0.76 | ALDH1A1 (0.36) | ALDH1A1POLBMAPTATP4AATP4B |
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-0113043-A1 | Diisocyanates or mixtures of diisocyanates, method for their preparation and their use in the prepration of synthetic materials of the polyurethane type | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |