Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| Niacinamide SCHEMBL6818598 | 0.89 | FYN (0.39) | PLA2G7VNN1CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6485426 | 0.89 | P2RY14 (0.36) | S1PR3CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6818605 | 0.86 | ALDH1A1 (0.42) | S1PR3TRPA1ALDH1A1LMNAMAPK1 | |
| SCHEMBL6477100 | 0.79 | CHRM4 (0.43) | S1PR3TRPA1CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6818812 | 0.73 | CHRM4 (0.37) | S1PR3TRPA1CACNA1GCACNA1HCACNA1I | |
| SCHEMBL6813649 | 0.72 | KDM5A (0.36) | TBXAS1ALDH1A1 | |
| SCHEMBL6484565 | 0.69 | RXRA (0.35) | S1PR3TRPA1ALDH1A1LMNAMAPK1 | |
| SCHEMBL6476575 | 0.68 | KDM5A (0.40) | CACNA1HALDH1A1PTGDR2 | |
| SCHEMBL6813645 | 0.66 | FYN (0.36) | VNN1ALDH1A1 | |
| SCHEMBL6814009 | 0.66 | PTGER4 (0.32) | — |
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-2004014908-A1 | HETEROBICYLCIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |