Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CCNH | P51946 | 1/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GHSR | Q92847 | 6/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
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 | 0.86 | CTSC (0.65) | CTSCCTSKKCNH2 | |
| SCHEMBL1499017 | 0.86 | CTSC (0.65) | CTSCCTSKKCNH2 | |
| SCHEMBL8037816 | 0.83 | CTSC (0.47) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL8038040 | 0.82 | CTSC (0.46) | CTSCCTSKKCNH2HTR2CHTR2B | |
| SCHEMBL8031912 | 0.77 | CTSC (0.56) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8039150 | 0.75 | CTSC (0.59) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8031916 | 0.75 | CTSC (0.54) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8040349 | 0.74 | CTSC (0.66) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL8041660 | 0.73 | CTSC (0.48) | CTSCCTSKKCNH2CYP3A4CYP2D6 | |
| SCHEMBL3658702 | 0.73 | CTSC (0.44) | CTSCCTSKKCNH2CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | disclosed |