Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.59 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | TDO2 | P48775 | 2/20 | 0.56 |
| ▸ | PNMT | P11086 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 13/20 | 0.51 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.50 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.50 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.50 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL605443 | 0.85 | HTR2A (0.64) | HTR2ATAAR1PNMTCACNA1CCHRNB2 | |
| SCHEMBL7412490 | 0.78 | TACR1 (0.46) | IDO1TDO2PNMTTACR1CACNA1F | |
| 2,2,2-Trifluoroethanaminium SCHEMBL4716808 | 0.78 | HTR2A (0.73) | HTR2ATAAR1PNMTCHRNB2CHRNA4 | |
| SCHEMBL149259 | 0.77 | HTR2A (1.00) | HTR2ATAAR1CHRNB2CHRNA4 | |
| SCHEMBL3914167 | 0.76 | PNMT (0.59) | HTR2ATAAR1IDO1TDO2PNMT | |
| SCHEMBL19668650 | 0.75 | SLC6A4 (0.58) | HTR2AIDO1TDO2TACR1CACNA1F | |
| Bromide SCHEMBL6737914 | 0.75 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4 | |
| Water SCHEMBL28365853 | 0.75 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL8550503 | 0.75 | HTR2A (0.94) | HTR2ATAAR1CHRNB2CHRNA4 | |
| SCHEMBL1581317 | 0.74 | PNMT (0.45) | HTR2ATAAR1PNMTCACNA1CCHRNB2 |
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-2008106633-A1 | METHODS OF USING BENZODIOXINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS | XENON PHARMACEUTICALS INC. (CA) | 2008-09-04 | — | — | WO | disclosed |