Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.66 |
| ▸ | CTSS | P25774 | 1/20 | 0.66 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | BACE1 | P56817 | 4/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | GPR88 | Q9GZN0 | 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 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
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 | 1.00 | CTSK (0.66) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL8336332 | 0.92 | CTSS (0.60) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL21180502 | 0.91 | CTSS (0.56) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL8338474 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8MAPTKLK7 | |
| SCHEMBL4597362 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL8334434 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL8337402 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL8334410 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL31560139 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A | |
| SCHEMBL29866403 | 0.91 | CTSS (0.59) | CTSKCTSSHDAC8BACE1SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004022528-A2 | ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |
| WO-2004022534-A1 | ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |