Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 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 SCHEMBL2089133 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Ethyl Acetate SCHEMBL5800063 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Ethyl Acetate SCHEMBL8741598 | 1.00 | ALDH1A1 (0.58) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Acetone SCHEMBL7006638 | 0.91 | GAA (0.48) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| SCHEMBL8677 | 0.91 | — | — | |
| Acetic Acid SCHEMBL5092211 | 0.89 | GAA (0.46) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Ammonia Solution, Strong SCHEMBL3775021 | 0.89 | GAA (0.50) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Methyl Alcohol SCHEMBL275175 | 0.89 | GAA (0.50) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Methylene Chloride SCHEMBL3731960 | 0.87 | GAA (0.48) | ALDH1A1HSD17B10LMNAMGAMGAA | |
| Alcohol SCHEMBL4242917 | 0.87 | GAA (0.48) | ALDH1A1HSD17B10LMNAMGAMGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1492523-A2 | METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-01-05 | — | — | EP | disclosed |
| WO-2003043631-A2 | METHOD FOR IDENTIFICATION OF TUMOR TARGETING ENZYMES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-05-30 | — | — | WO | disclosed |