Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541748 | 0.94 | CA12 (0.35) | CA12CA2CA9GAAL3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL4461425 | 0.92 | CA12 (0.34) | CA12CA2CA9GAAL3MBTL1 | |
| SCHEMBL419521 | 0.89 | NR3C1 (0.33) | CA12CA2CA9POLBKMT2A | |
| SCHEMBL419551 | 0.89 | NR3C1 (0.33) | CA12CA2CA9POLBKMT2A | |
| SCHEMBL1273991 | 0.88 | PDE5A (0.41) | CA2GAAL3MBTL1POLBKDM4E | |
| SCHEMBL17857870 | 0.88 | PDE5A (0.41) | CA2GAAL3MBTL1POLBKDM4E | |
| SCHEMBL9544567 | 0.87 | RAPGEF4 (0.37) | GAAL3MBTL1POLBKMT2AKDM4E | |
| SCHEMBL10771314 | 0.86 | CA12 (0.42) | CA12CA2CA9L3MBTL1POLB | |
| SCHEMBL8470868 | 0.86 | PDE5A (0.44) | CA12CA2CA9GAAL3MBTL1 | |
| SCHEMBL8971717 | 0.86 | CA12 (0.42) | CA12CA2CA9L3MBTL1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993010119-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-27 | — | — | WO | disclosed |
| EP-0542497-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-05-19 | — | — | EP | disclosed |