Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1023884 | 0.87 | CYP1A2 (0.38) | PTGS1PTGS2NPSR1BACE1CYP1A2 | |
| SCHEMBL1023575 | 0.81 | L3MBTL1 (0.39) | POLBPTGS1PTGS2NPSR1BACE1 | |
| SCHEMBL1027586 | 0.75 | GRM8 (0.36) | PTGS2BACE1CYP1A2PDE10A | |
| SCHEMBL1024672 | 0.74 | L3MBTL1 (0.39) | POLBPTGS1PTGS2NPSR1BACE1 | |
| SCHEMBL1025663 | 0.73 | DPP4 (0.40) | HTT | |
| SCHEMBL1025606 | 0.73 | GRM5 (0.38) | MAPT | |
| SCHEMBL1026639 | 0.73 | PDE10A (0.37) | CYP1A2MAPTMEN1KMT2APDE10A | |
| SCHEMBL1023290 | 0.72 | NR1H2 (0.36) | PTGS2PDE10A | |
| SCHEMBL13165379 | 0.70 | MEN1 (0.47) | CA1CA2NPSR1CYP1A2CYP3A4 | |
| SCHEMBL30941226 | 0.70 | THRB (0.41) | NPSR1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |