Known targets — ChEMBL curated mechanism
TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8
The experimentally established mechanism targets of Davunetide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.46 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | NTSR2 | O95665 | 8/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 8/20 | 0.43 |
| ▸ | SORT1 | Q99523 | 6/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | NPY4R | P50391 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Davunetide SCHEMBL239736 | 1.00 | XIAP (0.48) | XIAPAGTR2AGTR1CALCRLF2 | |
| Davunetide SCHEMBL239737 | 1.00 | XIAP (0.48) | XIAPAGTR2AGTR1CALCRLF2 | |
| Davunetide SCHEMBL3689039 | 1.00 | XIAP (0.48) | XIAPAGTR2AGTR1CALCRLF2 | |
| SCHEMBL13035034 | 0.96 | XIAP (0.47) | XIAPAGTR2AGTR1CALCRLF2 | |
| SCHEMBL30056720 | 0.92 | CALCRL (0.42) | XIAPAGTR2AGTR1CALCRLF2 | |
| Hydrochloric Acid SCHEMBL30504557 | 0.92 | CALCRL (0.42) | XIAPAGTR2AGTR1CALCRLF2 | |
| SCHEMBL30777830 | 0.91 | XIAP (0.48) | XIAPAGTR2AGTR1CALCRLNTSR2 | |
| SCHEMBL14693963 | 0.91 | XIAP (0.53) | XIAPAGTR2AGTR1NTSR2NTSR1 | |
| SCHEMBL14693960 | 0.91 | XIAP (0.53) | XIAPAGTR2AGTR1NTSR2NTSR1 | |
| SCHEMBL29947945 | 0.87 | XIAP (0.53) | XIAPAGTR2AGTR1F2NTSR2 |
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-3257863-A1 | FLOUROUS METABOLICALLY STABLE PEPTIDE ANALOGS | Université de Strasbourg (FR) | 2017-12-20 | — | — | EP | disclosed |