Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | POR | P16435 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28731239 | 0.82 | CYP1A2 (0.34) | SMN1; SMN2ESR1TP53POLBAPEX1 | |
| SCHEMBL30200194 | 0.82 | CYP1A2 (0.34) | SMN1; SMN2ESR1TP53POLBAPEX1 | |
| SCHEMBL24946157 | 0.78 | CTRC (0.37) | KCNA2GABRA1GABRB2KCNA3 | |
| SCHEMBL16381040 | 0.78 | KCNA2 (0.34) | KCNA2ESR1ESR2GABRA1GABRB2 | |
| SCHEMBL806473 | 0.78 | CYP1A2 (0.39) | SMN1; SMN2TP53POLBMAPK1NQO1 | |
| SCHEMBL31120928 | 0.78 | CYP1A2 (0.39) | SMN1; SMN2TP53POLBMAPK1NQO1 | |
| SCHEMBL19297217 | 0.76 | GPR55 (0.36) | KCNA2 | |
| SCHEMBL15629834 | 0.74 | GAA (0.37) | HSD17B10KCNA2POLBMAPK1NQO1 | |
| SCHEMBL8750157 | 0.73 | CTRC (0.48) | HSD17B10KCNA2TP53POLBMAPK1 | |
| SCHEMBL19297064 | 0.72 | LMNA (0.36) | HSD17B10SMN1; SMN2POLBMAPK1NQO1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616460-B1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMA CO LTD (JP) | 2015-10-28 | — | — | EP | disclosed |
| WO-2013137479-A1 | DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-09-19 | — | — | WO | disclosed |