Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | VHL | P40337 | 2/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | LPL | P06858 | 4/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2075581 | 0.85 | VHL (0.50) | VHL | |
| SCHEMBL2296377 | 0.84 | VHL (0.46) | VHL | |
| SCHEMBL2075234 | 0.81 | VHL (0.45) | VHLLMNA | |
| SCHEMBL2075232 | 0.81 | VHL (0.45) | VHLLMNA | |
| SCHEMBL25461944 | 0.76 | ITGB1 (0.37) | VHLLIPG | |
| SCHEMBL18593725 | 0.73 | ITGB1 (0.37) | VHLLIPG | |
| SCHEMBL20162043 | 0.72 | ITGB1 (0.38) | VHLLIPG | |
| SCHEMBL18546547 | 0.72 | ITGB1 (0.38) | VHLLIPG | |
| SCHEMBL16934685 | 0.72 | ITGB1 (0.38) | VHLLIPG | |
| SCHEMBL6665448 | 0.71 | ACE (0.52) | CYP3A4CYP2D6KCNH2POLBNR1I2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2231597-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |