Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14368359 | 0.81 | ADRB2 (0.44) | ADRB2MAP1LC3BADH1BADH1AACLY | |
| SCHEMBL28327768 | 0.81 | GRIN2B (0.41) | MAP1LC3BALDH1A1MAPTKMT2AADH1B | |
| SCHEMBL25994722 | 0.80 | ADH1B (0.50) | SMN1; SMN2ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL25994590 | 0.80 | ADH1B (0.50) | SMN1; SMN2ALDH1A1HTTMAPTKMT2A | |
| SCHEMBL716701 | 0.74 | ADRB2 (0.41) | ADRB2MAP1LC3BHTR3AHSD17B10SMN1; SMN2 | |
| SCHEMBL12020608 | 0.69 | HTR3A (0.47) | ADRB2MAP1LC3BHTR3AHSD17B10SMN1; SMN2 | |
| SCHEMBL23525773 | 0.67 | HTR3A (0.45) | ADRB2MAP1LC3BHTR3AHSD17B10SMN1; SMN2 | |
| SCHEMBL12020350 | 0.67 | HTR3A (0.45) | ADRB2MAP1LC3BHTR3AHSD17B10SMN1; SMN2 | |
| SCHEMBL1445179 | 0.67 | HTR3A (0.45) | ADRB2MAP1LC3BHTR3AHSD17B10SMN1; SMN2 | |
| SCHEMBL29992139 | 0.67 | HTR3A (0.45) | ADRB2HTR3AHSD17B10SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110461838-A | oxadiazole transient receptor potential channel inhibitors | HOFFMANN LA ROCHE | 2019-11-15 | — | — | CN | disclosed |