Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 9/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.41 |
| ▸ | MGLL | Q99685 | 6/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | FAAH | O00519 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GLS2 | Q9UI32 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | MPEG1 | Q2M385 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL357101 | 0.98 | ACHE (0.47) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL505900 | 0.87 | PTGS2 (0.52) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL5323456 | 0.82 | ACHE (0.39) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7930835 | 0.80 | NR1H2 (0.44) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL4330983 | 0.79 | ACHE (0.46) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7936995 | 0.79 | NR1H2 (0.47) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7933380 | 0.79 | NR1H2 (0.47) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7933400 | 0.79 | NR1H2 (0.47) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7932652 | 0.79 | NR1H2 (0.47) | ACHEBACE1ALOX5PTGS2MGLL | |
| SCHEMBL7932654 | 0.79 | NR1H2 (0.47) | ACHEBACE1ALOX5PTGS2MGLL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118161498-A | Application of TAK-981 in preparation of medicines for treating multiple sclerosis | 李鸿雁 | 2024-06-11 | — | — | CN | disclosed |
| US-7307140-B2 | Polyaspartimides | BAYER MATERIALSCIENCE LLC (US) | 2007-12-11 | — | — | US | disclosed |
| US-20060106194-A1 | Polyaspartimides | BAYER MATERIALSCIENCE LLC | 2006-05-18 | — | — | US | disclosed |
| US-20050159560-A1 | PROCESS FOR PREPARING ASPARTATES | COVESTRO DEUTSCHLAND AG (DE) | 2005-07-21 | — | — | US | disclosed |
| US-6911501-B1 | Reacting a di- or polyamine with an unsaturated ester and then reacting the resultant product with a maleimide, useful as reactive component for polyisocyanates in two-component polyurethane coating formulation | BAYER MATERIALSCIENCE LLC (US) | 2005-06-28 | — | — | US | disclosed |