Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14256879 | 0.88 | CYP1A2 (0.46) | CYP1A2ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL19121825 | 0.82 | CNR2 (0.50) | CYP1A2ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL30343272 | 0.79 | ADRB1 (0.50) | CYP1A2ALDH1A1CYP2C9CYP2C19KDM4E | |
| SCHEMBL21780690 | 0.74 | SMO (0.57) | ALDH1A1SMOGAAL3MBTL1OPRM1 | |
| SCHEMBL207751 | 0.73 | CYP1A2 (0.41) | CYP1A2ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL3120294 | 0.72 | GRIN2D (0.54) | ALDH1A1CYP2C9CYP2C19GRIN2DGRIN3B | |
| SCHEMBL26846116 | 0.72 | SMPD3 (0.42) | CYP1A2ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL2202877 | 0.70 | HTR3A (0.68) | CYP1A2MAPTHTR3AKDM4E | |
| SCHEMBL3635339 | 0.70 | GRIN2D (0.60) | ALDH1A1MAPTGRIN2DGRIN3BCHRM1 | |
| SCHEMBL18436012 | 0.69 | KDM4E (0.52) | CYP1A2ALDH1A1MAPTCYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | claimed |
| WO-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | disclosed |