Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | FABP7 | O15540 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19916985 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL21057326 | 0.85 | ALDH1A1 (0.46) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL21057476 | 0.82 | HPGD (0.40) | ALDH1A1HPGDTSHRCPB1FABP7 | |
| SCHEMBL21057473 | 0.82 | HPGD (0.40) | ALDH1A1HPGDTSHRCPB1FABP7 | |
| SCHEMBL2159645 | 0.80 | ALDH1A1 (0.52) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL1503740 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRCPB1FABP7 | |
| SCHEMBL18717596 | 0.77 | ALDH1A1 (0.50) | ALDH1A1HPGDTSHRCPB1FABP7 | |
| SCHEMBL17390977 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL17391194 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL9002126 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HPGDTSHRFABP7FABP5 |
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-2018038265-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2018-03-01 | — | — | WO | disclosed |