Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 2/20 | 0.55 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | FOS | P01100 | 2/20 | 0.42 |
| ▸ | JUN | P05412 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 6/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26725046 | 0.80 | L3MBTL1 (0.64) | ALDH1A1MAPTHIF1APKMTSHR | |
| SCHEMBL309617 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPTTHRBGPR55HIF1A | |
| SCHEMBL22916144 | 0.78 | CYP3A4 (0.41) | ALDH1A1TSHRABCB1CYP3A4L3MBTL1 | |
| SCHEMBL4277471 | 0.75 | ABCB1 (0.52) | ALDH1A1MAPTTHRBGPR55ABCB1 | |
| SCHEMBL13607201 | 0.75 | ALDH1A1 (0.61) | ALDH1A1MAPTTHRBGPR55ABCB1 | |
| SCHEMBL22330574 | 0.73 | DHODH (0.40) | ALDH1A1MAPTHIF1APKMTSHR | |
| SCHEMBL3032643 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MAPTTHRBGPR55TSHR | |
| SCHEMBL4856552 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MAPTTHRBGPR55HIF1A | |
| SCHEMBL15215266 | 0.72 | TRPA1 (0.48) | ALDH1A1 | |
| SCHEMBL21939124 | 0.72 | XDH (0.49) | ALDH1A1MAPTTHRBGPR55TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3317285-B1 | CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES | TURNING POINT THERAPEUTICS INC (US) | 2021-01-27 | — | — | EP | disclosed |