Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.30 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.30 |
| ▸ | ACVR1 | Q04771 | 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 | |
|---|---|---|---|---|
| SCHEMBL2851425 | 0.74 | CDA (0.41) | TP53HTR2CHTR2BACVRL1ACVR1 | |
| SCHEMBL13655800 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL14163377 | 0.73 | PARP1 (0.38) | TP53HTR2CHTR2B | |
| SCHEMBL994623 | 0.68 | HTR2C (0.40) | TP53HTR2CHTR2BBMPR1AACVRL1 | |
| SCHEMBL13485406 | 0.66 | GRM5 (0.36) | BMPR1AACVRL1ACVR1 | |
| SCHEMBL13655678 | 0.65 | HTR2C (0.34) | TP53HTR2CHTR2BBMPR1AACVRL1 | |
| SCHEMBL30178303 | 0.65 | HTR2C (0.49) | HTR2CHTR2B | |
| SCHEMBL651023 | 0.65 | HTR2C (0.49) | HTR2CHTR2B | |
| SCHEMBL726957 | 0.64 | HTR2C (0.40) | TP53HTR2CHTR2B | |
| SCHEMBL17881255 | 0.64 | MAPK1 (0.39) | TP53HTR2CHTR2B |
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 |