Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.57 |
| ▸ | CTSK | P43235 | 4/20 | 0.57 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL30968603 | 1.00 | CTSS (0.57) | CTSSCTSKRIPK1SLC1A2PTPN1 | |
| SCHEMBL29253672 | 1.00 | CTSS (0.57) | CTSSCTSKRIPK1SLC1A2PTPN1 | |
| SCHEMBL30968591 | 0.88 | CTSS (0.55) | CTSSCTSKPTPN1SCN9AATM | |
| SCHEMBL30968605 | 0.88 | CTSS (0.55) | CTSSCTSKPTPN1SCN9AATM | |
| SCHEMBL30968649 | 0.88 | CTSS (0.55) | CTSSCTSKPTPN1SCN9AATM | |
| SCHEMBL4590703 | 0.84 | RIPK1 (0.60) | CTSSCTSKRIPK1KMT2AKCNA5 | |
| SCHEMBL16908058 | 0.83 | CTSS (0.59) | CTSSCTSK | |
| SCHEMBL30687372 | 0.83 | CTSS (0.59) | CTSSCTSK | |
| SCHEMBL30279569 | 0.82 | BACE1 (0.59) | CTSSCTSKATMKMT2ABACE1 | |
| SCHEMBL29253632 | 0.82 | BACE1 (0.59) | CTSSCTSKATMKMT2ABACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4436954-A1 | DEUTERATED FUNCTIONALIZED DERIVATIVES OF ?-ALANINE, IN PARTICULAR FOR THE TREATMENT OF NEUROLOGICAL DISEASES | UNIWERSYTET JAGIELLONSKI (PL) | 2024-10-02 | — | — | EP | disclosed |
| CN-118302410-A | Deuterated functionalized derivatives of alpha-alanine, in particular for the treatment of neurological diseases | 雅盖隆大学 | 2024-07-05 | — | — | CN | disclosed |