Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPR | P35270 | 2/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.40 |
| ▸ | PLAT | P00750 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24247715 | 0.87 | NFE2L2 (0.41) | SPRROCK2PLATALDH1A1KDM4E | |
| SCHEMBL19127952 | 0.81 | SPR (0.43) | SPRROCK2PLAT | |
| SCHEMBL17437928 | 0.76 | SPR (0.49) | SPRPLATHTR2CALDH1A1KDM4E | |
| SCHEMBL25583491 | 0.76 | SPR (0.49) | SPRPLATHTR2CALDH1A1KDM4E | |
| SCHEMBL23587233 | 0.75 | SPR (0.48) | SPRPLATHTR2CALDH1A1KDM4E | |
| SCHEMBL19128103 | 0.75 | ROCK2 (0.42) | SPRROCK2 | |
| SCHEMBL19128741 | 0.74 | SPR (0.44) | SPRROCK2PLATHTR2CALDH1A1 | |
| SCHEMBL23732641 | 0.73 | KEAP1 (0.42) | SPRROCK2PLATALDH1A1KDM4E | |
| SCHEMBL17454441 | 0.73 | SPR (0.43) | SPRROCK2ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL23732550 | 0.73 | ROCK2 (0.48) | ROCK2ALDH1A1HSD17B10NPSR1HPGD |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |