Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | MPI | P34949 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23308 | 1.00 | — | — | |
| SCHEMBL799754 | 1.00 | — | — | |
| SCHEMBL15281293 | 1.00 | — | — | |
| SCHEMBL424699 | 1.00 | — | — | |
| SCHEMBL21114434 | 1.00 | AKR1B1 (0.50) | AKR1B1MPILMNAL3MBTL1TDP1 | |
| SCHEMBL42624 | 1.00 | — | — | |
| SCHEMBL117909 | 1.00 | — | — | |
| SCHEMBL15321644 | 1.00 | AKR1B1 (0.50) | AKR1B1MPILMNAL3MBTL1TDP1 | |
| Methane SCHEMBL23200369 | 0.97 | — | — | |
| E968 SCHEMBL18341323 | 0.97 | AKR1B1 (0.48) | AKR1B1MPILMNAL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |