Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 11/20 | 0.49 |
| ▸ | RAB9A | P51151 | 11/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8337365 | 1.00 | CTSS (0.53) | CTSSCTSKNPC1RAB9AMEN1 | |
| SCHEMBL8328499 | 0.86 | NPC1 (0.45) | NPC1RAB9AMEN1KMT2ANFKB1 | |
| SCHEMBL6718053 | 0.84 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2ATP53 | |
| SCHEMBL31048635 | 0.82 | CTSK (0.66) | CTSSCTSKPOLBBACE1 | |
| SCHEMBL8338149 | 0.82 | CTSK (0.66) | CTSSCTSKPOLBBACE1 | |
| SCHEMBL8338577 | 0.82 | CTSS (0.57) | CTSSCTSKNPC1RAB9AKMT2A | |
| SCHEMBL8337969 | 0.82 | CTSS (0.57) | CTSSCTSKNPC1RAB9AKMT2A | |
| SCHEMBL6715868 | 0.82 | CTSS (0.57) | CTSSCTSKNPC1RAB9AMEN1 | |
| SCHEMBL7726821 | 0.81 | CTSK (0.58) | CTSSCTSKNPC1RAB9AMEN1 | |
| SCHEMBL19709651 | 0.81 | CTSS (0.48) | CTSSCTSKPOLBBACE1 |
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 |