Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CTSC | P53634 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KCNQ1 | P51787 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498887 | 0.88 | CTSC (0.37) | ALDH1A1CTSCKCNQ1 | |
| SCHEMBL1499084 | 0.85 | CTSC (0.37) | ALDH1A1CTSC | |
| SCHEMBL2072167 | 0.85 | CTSC (0.46) | CTSC | |
| SCHEMBL1498948 | 0.82 | UCHL1 (0.30) | — | |
| SCHEMBL1498996 | 0.82 | CPT2 (0.36) | CTSC | |
| SCHEMBL1499091 | 0.82 | CTSC (0.37) | TRPA1SMN1; SMN2CTSCTDP1MAPT | |
| SCHEMBL3658250 | 0.81 | CTSC (0.40) | TRPA1ALDH1A1SMN1; SMN2CTSCMEN1 | |
| SCHEMBL1499098 | 0.78 | CTSC (0.40) | ALDH1A1SMN1; SMN2LMNACTSCKMT2A | |
| SCHEMBL2293179 | 0.78 | CTSC (0.54) | CTSC | |
| SCHEMBL1499180 | 0.78 | CCR3 (0.35) | ALDH1A1CTSC |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011506421-A | — | — | 2011-03-03 | — | — | JP | claimed |
| EP-2231597-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | AstraZeneca AB (SE) | 2010-09-29 | — | — | EP | claimed |
| WO-2009074829-A1 | PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS | ASTRAZENECA AB (SE) | 2009-06-18 | — | — | WO | claimed |
| 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 |