Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL3659109 | 0.87 | FKBP1A (0.36) | KMT2A | |
| SCHEMBL3659013 | 0.85 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1USP30LMNA | |
| SCHEMBL2074561 | 0.81 | USP30 (0.42) | ALDH1A1SMN1; SMN2NPC1USP30LMNA | |
| SCHEMBL2074559 | 0.81 | USP30 (0.42) | ALDH1A1SMN1; SMN2NPC1USP30LMNA | |
| SCHEMBL3661633 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1USP30LMNA | |
| SCHEMBL21013765 | 0.75 | SMN1; SMN2 (0.58) | ALDH1A1SMN1; SMN2NPC1LMNANPSR1 | |
| SCHEMBL2074562 | 0.74 | USP30 (0.44) | NPC1USP30UCHL1KDM4E | |
| SCHEMBL31188383 | 0.74 | NPC1 (0.67) | ALDH1A1NPC1USP30LMNANPSR1 | |
| SCHEMBL13379500 | 0.74 | NPC1 (0.67) | ALDH1A1NPC1USP30LMNANPSR1 | |
| SCHEMBL2076014 | 0.73 | VHL (0.46) | ALDH1A1NPC1USP30LMNANPSR1 |
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 |