Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19559484 | 0.84 | TSHR (0.40) | ALDH1A1ALOX12SMN1; SMN2ADRA1ATSHR | |
| SCHEMBL16785342 | 0.84 | TSHR (0.40) | ALDH1A1ALOX12SMN1; SMN2ADRA1ATSHR | |
| SCHEMBL20177577 | 0.80 | GPBAR1 (0.36) | GRM5GPBAR1 | |
| SCHEMBL20177903 | 0.78 | — | — | |
| SCHEMBL20177801 | 0.75 | ALDH1A1 (0.34) | ALDH1A1POLBESR2 | |
| SCHEMBL20177736 | 0.74 | KDM1A (0.34) | — | |
| SCHEMBL20177686 | 0.72 | — | — | |
| SCHEMBL20177855 | 0.70 | — | — | |
| SCHEMBL20041973 | 0.70 | TSHR (0.39) | ALDH1A1SMN1; SMN2ADRA1ATSHRDRD2 | |
| SCHEMBL16785344 | 0.69 | FPR1 (0.35) | — |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |