Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 8/20 | 0.64 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25742643 | 1.00 | HTR1B (0.64) | HTR1BSLC6A4CTNNB1WNT3ADYRK1A | |
| SCHEMBL25742636 | 0.87 | HTR1B (0.64) | HTR1BSLC6A4 | |
| SCHEMBL5988009 | 0.83 | HTR1B (0.67) | HTR1BSLC6A4 | |
| SCHEMBL29528156 | 0.83 | HTR1B (0.67) | HTR1BSLC6A4 | |
| SCHEMBL25237253 | 0.83 | HTR1B (0.67) | HTR1BSLC6A4 | |
| SCHEMBL24429342 | 0.83 | HTR1B (0.67) | HTR1BSLC6A4 | |
| SCHEMBL13747619 | 0.83 | HTR1B (0.68) | HTR1BCTNNB1WNT3ADYRK1ACDK9 | |
| SCHEMBL25477702 | 0.82 | HTR1B (0.66) | HTR1BCTNNB1WNT3ADYRK1ACYP2A6 | |
| SCHEMBL25477690 | 0.82 | HTR1B (0.66) | HTR1BCTNNB1WNT3ADYRK1ACYP2A6 | |
| SCHEMBL25477709 | 0.82 | HTR1B (0.66) | HTR1BCTNNB1WNT3ADYRK1ACYP2A6 |
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-2000036423-A1 | DETECTION OF METHYLENEDIOXY COMPOUNDS OF THE AMPHETAMINE SERIES | MERCK PATENT GMBH (DE) | 2000-06-22 | — | — | WO | disclosed |