Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29807938 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| SCHEMBL1022489 | 0.87 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| SCHEMBL18516201 | 0.85 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| Phenol SCHEMBL28474560 | 0.82 | CA12 (0.65) | ALDH1A1HPGDHSD17B10BCL2L1GLA | |
| SCHEMBL20503649 | 0.82 | CYP2A6 (0.71) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| 2-Chlorophenol SCHEMBL2575874 | 0.78 | ALDH1A1 (0.79) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| Ether SCHEMBL28198832 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| Phenol SCHEMBL27256946 | 0.77 | CYP2A6 (0.77) | ALDH1A1HPGDHSD17B10BCL2L1CYP2A6 | |
| Phenol SCHEMBL28427173 | 0.76 | CA12 (0.55) | ALDH1A1HPGDHSD17B10BCL2L1GLA | |
| SCHEMBL28234020 | 0.75 | ALOX5 (0.54) | ALDH1A1HPGDHSD17B10GLACA12 |
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 |
|---|---|---|---|---|---|---|---|
| JP-59095275-A | — | — | None | — | — | JP | disclosed |
| JP-S5995275-A | PREPARATION OF 1-(O-CHLOROTRITYL)-IMIDAZOLE | KOTOBUKI SEIYAKU KK | 1984-06-01 | — | — | JP | disclosed |