Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.60 |
| ▸ | CTSK | P43235 | 1/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8348009 | 1.00 | CTSS (0.60) | CTSSCTSKS1PR3CYP1A2CYP3A4 | |
| SCHEMBL8336805 | 0.91 | CTSS (0.57) | CTSSCTSKS1PR3SCN9AGABRB1 | |
| SCHEMBL8334464 | 0.88 | CTSS (0.56) | CTSSCTSKS1PR3MAPTSMN1; SMN2 | |
| SCHEMBL8345848 | 0.88 | CTSS (0.56) | CTSSCTSKS1PR3MAPTSMN1; SMN2 | |
| SCHEMBL8346970 | 0.87 | CTSS (0.60) | CTSSCTSKS1PR3CYP3A4CYP2C19 | |
| SCHEMBL8347137 | 0.87 | CTSS (0.46) | CTSSCTSKNPC1RAB9AMAPT | |
| SCHEMBL1460781 | 0.86 | CTSS (0.59) | CTSSCTSKS1PR3SCN9AGABRB1 | |
| SCHEMBL1460777 | 0.86 | CTSS (0.59) | CTSSCTSKS1PR3SCN9AGABRB1 | |
| SCHEMBL8344169 | 0.86 | CTSS (0.59) | CTSSCTSKS1PR3SCN9AGABRB1 | |
| SCHEMBL8346165 | 0.86 | CTSS (0.54) | CTSSCTSKS1PR3SCN9AMAPT |
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-2004022534-A1 | ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |
| WO-2004022528-A2 | ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS | NPS ALLELIX CORP. (CA) | 2004-03-18 | — | — | WO | disclosed |