Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.38 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.38 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13822725 | 0.94 | ACE2 (0.48) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL4396790 | 0.94 | ACE2 (0.48) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL8738045 | 0.88 | ACE2 (0.43) | ACE2PAOXUSP2ALDH1A1GNAI3 | |
| SCHEMBL4398090 | 0.87 | ACE2 (0.46) | ACE2SLC2A1PAOXALDH1A1GNAI3 | |
| SCHEMBL17277917 | 0.85 | CYP2C19 (0.44) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL6739265 | 0.85 | CARM1 (0.46) | ACE2PAOXALDH1A1KDM4ETSHR | |
| SCHEMBL4393776 | 0.85 | ACE2 (0.48) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL4396749 | 0.85 | ACE2 (0.48) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL18121254 | 0.85 | ACE2 (0.48) | ACE2SLC2A1PAOXUSP2ALDH1A1 | |
| SCHEMBL8220855 | 0.83 | HRH3 (0.50) | ACE2PAOXALDH1A1KDM4ESMN1; SMN2 |
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 |