Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MYC | P01106 | 3/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL4952404 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL5694801 | 0.93 | ALDH1A1 (0.50) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL5694790 | 0.93 | ALDH1A1 (0.50) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL3496065 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL29353202 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL3290436 | 0.87 | ALDH1A1 (0.44) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Benzoic Acid SCHEMBL8427607 | 0.85 | DAO (0.54) | KMT2ANAPRTMEN1 | |
| Phthalic Acid SCHEMBL29440765 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL18662505 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 | |
| Phthalic Acid SCHEMBL930600 | 0.80 | ALDH1A1 (0.48) | ALDH1A1ALOX15L3MBTL1MYCNR4A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5856513-A | METHYLATING AN N-ALKYLIMIDAZOLINE WITH DIMETHYL CARBONATE AND (B) REACTING THE RESULTING N-ALKYL-N'-METHYLIMIDAZOLINIUM METHYL CARBONATE WITH AN ORGANIC ACID, METHANOL SOLVENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-01-05 | — | — | US | disclosed |