Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 4/20 | 0.34 |
| ▸ | MMP9 | P14780 | 4/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.34 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19469381 | 0.85 | MCOLN3 (0.49) | ALDH1A1MCOLN3TSHRL3MBTL1KDM4E | |
| SCHEMBL21111053 | 0.84 | CA1 (0.47) | CA1CA2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL19469363 | 0.76 | LMNA (0.50) | ALDH1A1MCOLN3TSHRL3MBTL1KDM4E | |
| SCHEMBL10409065 | 0.76 | CA1 (0.44) | CA1CA2CYP2D6ALDH1A1MCOLN3 | |
| SCHEMBL19469380 | 0.75 | LMNA (0.45) | ALDH1A1MCOLN3TSHRL3MBTL1KDM4E | |
| SCHEMBL6530359 | 0.73 | HTR6 (0.42) | CA1CA2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL14780378 | 0.73 | ENPP3 (0.48) | CA1CA2CYP2D6ALDH1A1KDM4E | |
| SCHEMBL4337181 | 0.72 | NAAA (0.52) | CYP2D6ALDH1A1MMP2MMP3MMP8 | |
| SCHEMBL3395451 | 0.72 | CYP2D6 (0.42) | CA1CA2CYP2D6ALDH1A1CYP3A4 | |
| SCHEMBL23192021 | 0.71 | CYP2D6 (0.61) | CA1CA2CYP2D6ALDH1A1CYP3A4 |
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-2003071269-A2 | METHODS AND APPARATUSES FOR CHARACTERIZING STABILITY OF BIOLOGICAL MOLECULES | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2003-08-28 | — | — | WO | disclosed |