Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.39 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | WNT1 | P04628 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1499022 | 0.80 | CTSC (0.65) | CTSCCTSKKCNH2 | |
| SCHEMBL1499017 | 0.80 | CTSC (0.65) | CTSCCTSKKCNH2 | |
| SCHEMBL3657635 | 0.76 | CTSC (0.60) | CTSCCTSKKCNH2GPR88HTR2C | |
| SCHEMBL1499198 | 0.76 | CTSC (0.50) | CTSCCTSKKCNH2GPR88HTR2C | |
| SCHEMBL1499171 | 0.75 | CTSC (0.50) | CTSCCTSKKCNH2GPR88HTR2C | |
| SCHEMBL8039486 | 0.73 | CTSC (0.46) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL4247301 | 0.71 | CTSC (0.49) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL4247298 | 0.71 | CTSC (0.49) | CTSCCTSKKCNH2HTR2C | |
| SCHEMBL1499223 | 0.69 | CTSC (0.80) | CTSCCTSKKCNH2 | |
| SCHEMBL1499028 | 0.69 | CTSC (0.52) | CTSCCTSKKCNH2HTR2C |
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 |