Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.37 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.37 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL6290071 | 0.81 | CYP3A4 (0.56) | DRD2CYP3A4TDP1NQO2CHRM2 | |
| SCHEMBL8356396 | 0.77 | TDP1 (0.59) | CYP3A4TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL8356482 | 0.77 | TDP1 (0.59) | CYP3A4TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL6292863 | 0.76 | NAAA (0.44) | DRD2CYP3A4TDP1NPSR1CA12 | |
| SCHEMBL6290025 | 0.74 | KCNA5 (0.50) | NQO2CA12CA1KCNA5 | |
| SCHEMBL29347085 | 0.73 | TDP1 (0.51) | DRD2CYP3A4TDP1NQO2NPSR1 | |
| SCHEMBL6292891 | 0.73 | CHRM2 (0.45) | CYP3A4TDP1NQO2CHRM2CHRM4 | |
| SCHEMBL31730047 | 0.72 | NQO2 (0.50) | DRD2CYP3A4TDP1NQO2NPSR1 | |
| SCHEMBL6292867 | 0.71 | CYP3A4 (0.52) | DRD2CYP3A4TDP1CA12CA1 | |
| SCHEMBL375762 | 0.71 | MEN1 (0.48) | DRD2TDP1NQO2NPSR1SIGMAR1 |
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-6870065-B2 | Bifunctional boronic compound complexing reagents and complexes | CAMBREX BIO SCIENCE ROCKLAND, INC. (US) | 2005-03-22 | — | — | US | disclosed |