Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | CASP1 | P29466 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | SPR | P35270 | 2/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 6/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24247736 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL19127405 | 0.85 | KDM4E (0.39) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL19150259 | 0.78 | ALDH1A1 (0.36) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL19127945 | 0.77 | KDM4E (0.40) | ALDH1A1KDM4EHPGD | |
| SCHEMBL20646954 | 0.73 | LMNA (0.38) | ALDH1A1KDM4EHSD17B10KMT2AMEN1 | |
| SCHEMBL19128175 | 0.73 | KDM4E (0.45) | ALDH1A1KDM4EHSD17B10KMT2AMEN1 | |
| SCHEMBL20646956 | 0.70 | LMNA (0.36) | ALDH1A1KDM4EHSD17B10KMT2AMEN1 | |
| SCHEMBL24247738 | 0.70 | SPR (0.43) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL23889040 | 0.69 | SLC6A9 (0.35) | ALDH1A1KDM4EKMT2ASMN1; SMN2RAB9A | |
| SCHEMBL17437949 | 0.68 | CA12 (0.43) | ALDH1A1KDM4EHPGDHSD17B10CASP1 |
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 |