Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033893 | 0.87 | SRR (0.50) | CYP1A2ALDH1A1SRRPTGS1TAAR1 | |
| SCHEMBL29033895 | 0.87 | SRR (0.50) | CYP1A2ALDH1A1SRRPTGS1TAAR1 | |
| SCHEMBL1833635 | 0.85 | TRPA1 (0.55) | TRPA1CYP1A2EPHX1SRRALPI | |
| Ammonia Solution, Strong SCHEMBL29021310 | 0.82 | TRPA1 (0.53) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL29061185 | 0.81 | SRR (0.53) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL3091836 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL5105980 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL3091848 | 0.80 | TRPA1 (0.52) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL25158 | 0.78 | TRPA1 (0.56) | TRPA1CYP1A2EPHX1SRRALPI | |
| SCHEMBL2211027 | 0.78 | TRPA1 (0.56) | TRPA1CYP1A2EPHX1SRRALPI |
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-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |