Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11557266 | 0.97 | GAA (0.36) | GAAMCOLN3KMT2ASMN1; SMN2 | |
| SCHEMBL24095422 | 0.67 | — | — | |
| SCHEMBL23221529 | 0.67 | — | — | |
| SCHEMBL11452245 | 0.65 | GAA (0.36) | GAAMCOLN3KMT2ASMN1; SMN2 | |
| SCHEMBL28059858 | 0.65 | GAA (0.36) | GAAMCOLN3KMT2ASMN1; SMN2 | |
| SCHEMBL22533257 | 0.63 | — | — | |
| SCHEMBL11827364 | 0.61 | GAA (0.33) | GAAMCOLN3KMT2ASMN1; SMN2 | |
| Cyclopropane SCHEMBL365424 | 0.60 | — | — | |
| SCHEMBL11357022 | 0.60 | — | — | |
| Cyclohexane SCHEMBL3105735 | 0.60 | CA1 (0.33) | KMT2A |
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-2000063195-A1 | NOVEL HETEROCYCLIC AMINO CARBONYL DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 2000-10-26 | — | — | WO | disclosed |