Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 7/20 | 0.34 |
| ▸ | CA1 | P00915 | 6/20 | 0.33 |
| ▸ | CA9 | Q16790 | 6/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL4566034 | 0.80 | ALDH1A1 (0.44) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| SCHEMBL4776251 | 0.80 | PDIA6 (0.37) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| SCHEMBL10587167 | 0.73 | CA2 (0.42) | ALDH1A1PDIA6GAAHSD17B10HPGD | |
| SCHEMBL701462 | 0.73 | ALDH1A1 (0.55) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL6021662 | 0.71 | ALDH1A1 (0.53) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| Hydrochloric Acid SCHEMBL8306778 | 0.71 | ALDH1A1 (0.53) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| SCHEMBL7705793 | 0.71 | PDIA6 (0.42) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| SCHEMBL9246701 | 0.69 | PDIA6 (0.39) | ALDH1A1PDIA6LMNAGAACA2 | |
| SCHEMBL7098550 | 0.68 | ALDH1A1 (0.46) | ALDH1A1PDIA6LMNAL3MBTL1GAA | |
| SCHEMBL11315118 | 0.68 | HPGD (0.48) | ALDH1A1GAAHSD17B10HPGDIGF1R |
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-2008008431-A2 | HETEROARYL SULFONAMIDES AND CCR2/CCR9 | CHEMOCENTRYX, INC. (US) | 2008-01-17 | — | — | WO | disclosed |