Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 11/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | MME | P08473 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3792997 | 0.82 | GPR119 (0.46) | SLC22A12 | |
| SCHEMBL5170828 | 0.80 | CTSS (0.48) | — | |
| SCHEMBL3654575 | 0.78 | CTSS (0.36) | HRH3 | |
| SCHEMBL3715969 | 0.74 | ACACB (0.43) | — | |
| SCHEMBL12646553 | 0.72 | MMP12 (0.56) | MMP12MMP13MCHR1HRH3PTPN5 | |
| SCHEMBL290311 | 0.72 | MMP12 (0.44) | MMP12MMP13MCHR1HRH3MME | |
| SCHEMBL21996676 | 0.71 | PPARA (0.43) | MMP12MMP13HRH3 | |
| SCHEMBL2074655 | 0.71 | CTSC (0.57) | MMP12MMP13MME | |
| SCHEMBL2074657 | 0.71 | CTSC (0.57) | MMP12MMP13MME | |
| SCHEMBL8036118 | 0.71 | CTSS (0.55) | MMP12MMP13MME |
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 |