Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23643229 | 0.86 | NOS1 (0.47) | SLC7A5NFKB1NOS3NOS1NOS2 | |
| SCHEMBL20041146 | 0.86 | NOS1 (0.47) | SLC7A5NFKB1NOS3NOS1NOS2 | |
| SCHEMBL18402873 | 0.84 | SLC7A5 (0.39) | SLC7A5TSHRALOX5HPGDNOS3 | |
| SCHEMBL23643117 | 0.84 | NOS1 (0.47) | SLC7A5TSHRNOS1CYP3A4 | |
| SCHEMBL9631293 | 0.84 | MAOB (0.45) | LMNA | |
| SCHEMBL24899382 | 0.84 | MAOB (0.45) | LMNA | |
| SCHEMBL17211514 | 0.84 | GRIA2 (0.50) | NFKB1CYP3A4 | |
| SCHEMBL2229499 | 0.82 | ADRB2 (0.45) | SLC7A5NOS3NOS1NOS2 | |
| SCHEMBL21896511 | 0.82 | PNMT (0.61) | TSHR | |
| SCHEMBL21417673 | 0.82 | PNMT (0.61) | TSHR |
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-9566290-B2 | Boron-containing small molecules | ANACOR PHARMACEUTICALS, INC. (US) | 2017-02-14 | — | — | US | disclosed |