Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SI | P14410 | 1/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL2764170 | 0.89 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL1461072 | 0.89 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10L3MBTL1TSHR | |
| Ethyl Acetate SCHEMBL5862364 | 0.89 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL390477 | 0.89 | — | — | |
| Ethyl Acetate SCHEMBL2336202 | 0.89 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL10517706 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL5502461 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL2010629 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL4048106 | 0.87 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 | |
| Ethyl Acetate SCHEMBL7382473 | 0.85 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10L3MBTL1CYP2C9 |
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-2011086541-A1 | NOVEL POLYMORPH OF NILOTINIB MONOHYDROCHLORIDE MONOHYDRATE | GENERICS [UK] LIMITED (GB) | 2011-07-21 | — | — | WO | disclosed |