Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17858517 | 0.78 | SMN1; SMN2 (0.41) | SMN1; SMN2CA14ALDH1A1 | |
| SCHEMBL17634052 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2CA14CA12ALDH1A1TSHR | |
| SCHEMBL17634041 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2CA14CA12ALDH1A1TSHR | |
| SCHEMBL17638810 | 0.76 | SMN1; SMN2 (0.45) | SMN1; SMN2CA14CA12ALDH1A1TSHR | |
| SCHEMBL20408741 | 0.76 | SMN1; SMN2 (0.35) | SMN1; SMN2CA14CA12ALDH1A1TSHR | |
| SCHEMBL6830271 | 0.71 | — | — | |
| SCHEMBL19300027 | 0.68 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL19300028 | 0.68 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL19300209 | 0.68 | SMN1; SMN2 (0.37) | SMN1; SMN2 | |
| SCHEMBL8149058 | 0.66 | SMN1; SMN2 (0.34) | SMN1; SMN2CA14ALDH1A1TSHRMAPK1 |
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-3626710-B1 | PROCESS FOR PREPARING AN INTERMEDIATE IN THE SYNTHESIS OF (CYCLOPENTYL[D]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-02-16 | — | — | EP | disclosed |