Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.43 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23230181 | 0.92 | HRH2 (0.43) | HTR1ASLC6A4PTGDR2SLC6A2SLC6A3 | |
| SCHEMBL6926374 | 0.83 | CCNT1 (0.50) | SLC6A4SLC6A2SLC6A3CCNT1CDK9 | |
| SCHEMBL23230135 | 0.83 | SLC6A4 (0.66) | HTR1ASLC6A4PTGDR2SLC6A2SLC6A3 | |
| SCHEMBL21816456 | 0.78 | HTR2C (0.47) | SLC6A4SLC6A2SLC6A3JAK2NTRK1 | |
| SCHEMBL29750505 | 0.78 | HTR2C (0.47) | SLC6A4SLC6A2SLC6A3JAK2NTRK1 | |
| SCHEMBL16310676 | 0.76 | NTRK1 (0.53) | PTGDR2CCNT1CDK9JAK2NTRK1 | |
| SCHEMBL23213682 | 0.75 | CHRM4 (0.55) | HTR1ASLC6A4PTGDR2SLC6A2SLC6A3 | |
| SCHEMBL23213686 | 0.75 | CHRM4 (0.55) | HTR1ASLC6A4PTGDR2SLC6A2SLC6A3 | |
| SCHEMBL6927533 | 0.75 | CCNT1 (0.50) | SLC6A4CCNT1CDK9DRD2CASP3 | |
| SCHEMBL12968477 | 0.75 | HTR2C (0.52) | HTR1ASLC6A4PTGDR2SLC6A2SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021070091-A1 | 5-OXA-2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS | NOVARTIS AG (CH) | 2021-04-15 | — | — | WO | disclosed |