Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13772888 | 0.90 | TP53 (0.33) | TP53HTR2CHTR2B | |
| SCHEMBL13655678 | 0.80 | HTR2C (0.34) | TP53HTR2CHTR2B | |
| SCHEMBL13655780 | 0.78 | TP53 (0.33) | TP53HTR2CHTR2B | |
| SCHEMBL2851425 | 0.69 | CDA (0.41) | TP53HTR2CHTR2B | |
| SCHEMBL994623 | 0.63 | HTR2C (0.40) | TP53HTR2CHTR2B | |
| SCHEMBL651023 | 0.63 | HTR2C (0.49) | HTR2CHTR2B | |
| SCHEMBL30178303 | 0.63 | HTR2C (0.49) | HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL1819629 | 0.62 | HTR2C (0.48) | HTR2CHTR2B | |
| SCHEMBL13985278 | 0.62 | HTR2C (0.33) | TP53HTR2CHTR2B | |
| SCHEMBL13656001 | 0.61 | PARP1 (0.37) | — |
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-2108648-A1 | Selected CGRP antagonists, method for their manufacture and use as medicines | Boehringer Ingelheim International GmbH (DE) | 2009-10-14 | — | — | EP | disclosed |