Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | RXRG | P48443 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3654645 | 0.83 | CYP11B2 (0.47) | CYP11B2CYP11B1KCNJ1CTSCRXRA | |
| SCHEMBL3660898 | 0.82 | MMP12 (0.51) | SLC22A12 | |
| SCHEMBL3654575 | 0.77 | CTSS (0.36) | — | |
| SCHEMBL5170828 | 0.76 | CTSS (0.48) | — | |
| SCHEMBL21266172 | 0.76 | TRPA1 (0.50) | GPR119CYP11B2CYP11B1EGLN2TRPA1 | |
| SCHEMBL30751838 | 0.76 | TRPA1 (0.50) | GPR119CYP11B2CYP11B1EGLN2TRPA1 | |
| SCHEMBL5846318 | 0.75 | TRPA1 (0.48) | GPR119EGLN2TRPA1KCNJ1KDM1A | |
| SCHEMBL3715969 | 0.73 | ACACB (0.43) | — | |
| SCHEMBL27153345 | 0.72 | TRPA1 (0.46) | GPR119EGLN2TRPA1KCNJ1KDM1A | |
| SCHEMBL8035926 | 0.72 | TRPA1 (0.53) | GPR119EGLN2TRPA1CTSC |
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 |