Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3659013 | 0.89 | ALDH1A1 (0.47) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL2073065 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNANPSR1NPC1KMT2A | |
| SCHEMBL2073064 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNANPSR1NPC1KMT2A | |
| SCHEMBL3662047 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL21013765 | 0.76 | SMN1; SMN2 (0.58) | ALDH1A1LMNANPSR1SMN1; SMN2NPC1 | |
| SCHEMBL2073446 | 0.75 | CTSC (0.48) | ALDH1A1LMNANPSR1NPC1KMT2A | |
| SCHEMBL2073444 | 0.75 | CTSC (0.48) | ALDH1A1LMNANPSR1NPC1KMT2A | |
| SCHEMBL3661348 | 0.75 | FKBP1A (0.39) | ALDH1A1NPC1KMT2AFKBP1A | |
| SCHEMBL15586684 | 0.74 | NPC1 (0.65) | ALDH1A1LMNANPSR1NPC1KMT2A | |
| SCHEMBL1752674 | 0.74 | NPC1 (0.65) | ALDH1A1LMNANPSR1NPC1KMT2A |
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 |