Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.50 |
| ▸ | PNMT | P11086 | 6/20 | 0.42 |
| ▸ | DRD2 | P14416 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15318965 | 0.79 | CYP11B1 (0.50) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL13239080 | 0.75 | SRD5A1 (0.37) | CYP11B1CYP11B2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL15319224 | 0.75 | CYP11B1 (0.47) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL8484097 | 0.73 | CYP11B1 (0.46) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL8494577 | 0.72 | NAMPT (0.44) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL17288494 | 0.72 | PNMT (0.46) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL12778357 | 0.72 | HSD17B3 (0.37) | CYP11B1CYP11B2PNMTCYP19A1 | |
| SCHEMBL15320230 | 0.71 | CYP11B1 (0.41) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL818830 | 0.70 | CYP11B1 (0.42) | CYP11B1CYP11B2PNMTDRD2DRD3 | |
| SCHEMBL27913249 | 0.70 | DRD2 (0.52) | CYP11B1CYP11B2PNMTDRD2DRD3 |
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-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |