Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 4/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31048635 | 0.86 | CTSK (0.66) | CTSSCTSKBACE1HDAC4HDAC1 | |
| SCHEMBL8338149 | 0.86 | CTSK (0.66) | CTSSCTSKBACE1HDAC4HDAC1 | |
| SCHEMBL8336972 | 0.85 | CTSS (0.57) | CTSSCTSKBACE1HDAC4HDAC1 | |
| SCHEMBL6726960 | 0.85 | ALDH1A1 (0.51) | BCHEACHEKDM4ETDP1ALDH1A1 | |
| SCHEMBL8337364 | 0.82 | SMN1; SMN2 (0.58) | CTSSCTSKBACE1KDM4EHDAC8 | |
| SCHEMBL8336482 | 0.82 | SMN1; SMN2 (0.58) | CTSSCTSKBACE1KDM4EHDAC8 | |
| SCHEMBL6715868 | 0.81 | CTSS (0.57) | CTSSCTSKBACE1KDM4EHDAC8 | |
| SCHEMBL8338577 | 0.81 | CTSS (0.57) | CTSSCTSKBACE1HDAC4HDAC1 | |
| SCHEMBL8337969 | 0.81 | CTSS (0.57) | CTSSCTSKBACE1HDAC4HDAC1 | |
| SCHEMBL16709839 | 0.80 | BCHE (0.56) | HDAC1BCHEACHEHDAC3HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004022528-A2 | ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |