Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8726211 | 0.88 | NPSR1 (0.37) | ALDH1A1NPSR1CA12CA1CA9 | |
| SCHEMBL8726177 | 0.87 | ALDH1A1 (0.37) | ALDH1A1NPSR1POLBMAPTMEN1 | |
| SCHEMBL8726450 | 0.77 | ALDH1A1 (0.39) | ALDH1A1NPSR1POLBMAPTMEN1 | |
| SCHEMBL8722134 | 0.75 | NPSR1 (0.44) | ALDH1A1NPSR1MAPTMEN1KMT2A | |
| SCHEMBL8724221 | 0.75 | CA1 (0.42) | ALDH1A1CA12CA1CA9MCHR1 | |
| SCHEMBL8722997 | 0.70 | MAPT (0.37) | ALDH1A1MCHR1MAPT | |
| SCHEMBL7717390 | 0.70 | MAPT (0.36) | ALDH1A1NPSR1CA12CA1CA9 | |
| SCHEMBL8726452 | 0.69 | MAPT (0.40) | ALDH1A1NPSR1CA12CA1CA9 | |
| SCHEMBL8722158 | 0.68 | CA2 (0.41) | CA12CA1CA9KEAP1TDP1 | |
| SCHEMBL27453160 | 0.67 | MAPT (0.54) | ALDH1A1NPSR1POLBMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998035982-A1 | COMPOUNDS FOR USE IN ADEPT | ZENECA LIMITED (GB) | 1998-08-20 | — | — | WO | disclosed |