Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20645794 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL20640753 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL8824083 | 0.71 | PARP1 (0.48) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL8824079 | 0.71 | PARP1 (0.48) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL31693805 | 0.67 | ALDH1A1 (0.64) | ALDH1A1KMT2AMEN1HTTF2 | |
| SCHEMBL30366023 | 0.66 | ALDH1A1 (0.65) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL19403826 | 0.66 | ALDH1A1 (0.69) | ALDH1A1HTR1AHTR2AHTR7HTR6 | |
| SCHEMBL20556203 | 0.65 | ALDH1A1 (0.71) | ALDH1A1KMT2AMEN1HTTF2 | |
| SCHEMBL16866377 | 0.65 | ALDH1A1 (0.71) | ALDH1A1KMT2AMEN1HTTF2 | |
| SCHEMBL17540297 | 0.64 | ALDH1A1 (0.64) | ALDH1A1KMT2ANPSR1MEN1HTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3652178-B1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | HOFFMANN LA ROCHE (CH) | 2024-01-24 | — | — | EP | disclosed |
| WO-2019012063-A1 | BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2019-01-17 | — | — | WO | disclosed |