Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 4/20 | 0.31 |
| ▸ | DRD5 | P21918 | 4/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5061026 | 0.79 | ALDH1A1 (0.37) | PTGS2TRPA1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8031056 | 0.79 | PTGS2 (0.53) | PTGS2TRPA1ALDH1A1KDM4EMAPK1 | |
| SCHEMBL3832338 | 0.77 | LTA4H (0.39) | PTGS2TRPA1SMN1; SMN2MAOAMAOB | |
| SCHEMBL4314410 | 0.75 | LTA4H (0.40) | TRPA1L3MBTL1HPGDDRD2DRD3 | |
| SCHEMBL1923169 | 0.74 | TRPA1 (0.38) | PTGS2TRPA1ALDH1A1SMN1; SMN2DRD1 | |
| SCHEMBL4309791 | 0.72 | TRPA1 (0.36) | PTGS2TRPA1PARP1MAOAMAOB | |
| SCHEMBL4306589 | 0.72 | ACHE (0.38) | PTGS2ALDH1A1MAPTDRD1DRD5 | |
| SCHEMBL5413199 | 0.69 | PTGS2 (0.43) | PTGS2TRPA1ALDH1A1KDM4EMAPT | |
| SCHEMBL1681314 | 0.68 | TRPA1 (0.36) | PTGS2TRPA1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3469802 | 0.68 | TRPA1 (0.36) | PTGS2TRPA1DRD4PARP1DRD2 |
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-2009136965-A1 | COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES | SEQUELLA, INC. (US) | 2009-11-12 | — | — | WO | disclosed |
| US-5416093-A | DIPEPTIDE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1995-05-16 | — | — | US | disclosed |