Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.57 |
| ▸ | CTSK | P43235 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8337969 | 1.00 | CTSS (0.57) | CTSSCTSKALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8338265 | 0.88 | CTSS (0.52) | CTSSCTSKALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8336332 | 0.86 | CTSS (0.60) | CTSSCTSKALDH1A1BACE1HTT | |
| SCHEMBL8338149 | 0.86 | CTSK (0.66) | CTSSCTSKBACE1MAPTS1PR3 | |
| SCHEMBL31048635 | 0.86 | CTSK (0.66) | CTSSCTSKBACE1MAPTS1PR3 | |
| SCHEMBL6715868 | 0.86 | CTSS (0.57) | CTSSCTSKALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL8336972 | 0.86 | CTSS (0.57) | CTSSCTSKALDH1A1BACE1MAPT | |
| SCHEMBL8338471 | 0.85 | CTSS (0.59) | CTSSCTSKALDH1A1BACE1MAPT | |
| SCHEMBL8327841 | 0.85 | CTSS (0.41) | CTSSCTSKALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6715851 | 0.85 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |