Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | PTGIR | P43119 | 3/20 | 0.34 |
| ▸ | CPT1A | P50416 | 1/20 | 0.34 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1499130 | 0.89 | CPT2 (0.35) | CPT1AALDH1A1 | |
| SCHEMBL3652410 | 0.88 | CTSC (0.42) | USP30MCHR1 | |
| SCHEMBL1499084 | 0.85 | CTSC (0.37) | USP30ALDH1A1 | |
| SCHEMBL1499150 | 0.85 | CTSC (0.34) | USP30MCHR1 | |
| SCHEMBL2074465 | 0.85 | CTSC (0.45) | — | |
| SCHEMBL1499211 | 0.85 | CTSC (0.37) | MCHR1 | |
| SCHEMBL1499180 | 0.84 | CCR3 (0.35) | ALDH1A1 | |
| SCHEMBL1499096 | 0.84 | AAK1 (0.38) | AAK1CPT1AMCHR1 | |
| SCHEMBL3656277 | 0.83 | DPP4 (0.38) | MEN1KMT2AMCHR1TSHRNPSR1 | |
| SCHEMBL3654483 | 0.83 | CTSC (0.35) | — |
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 |