Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 5/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7995494 | 0.89 | SCN9A (0.48) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL18687756 | 0.88 | ADRB2 (0.51) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL20630423 | 0.86 | SCN9A (0.51) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL7995439 | 0.84 | KDM4E (0.49) | KDM4EALDH1A1HPGDMTNR1AMTNR1B | |
| SCHEMBL1682258 | 0.84 | SCN9A (0.60) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL13744590 | 0.84 | MEN1 (0.51) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL16520531 | 0.81 | CA12 (0.50) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL18687780 | 0.81 | ADRB2 (0.49) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL15869790 | 0.80 | ALDH1A1 (0.55) | SCN9ACA12CA1CA2CA9 | |
| SCHEMBL13744814 | 0.80 | DRD2 (0.49) | SCN9ACA12CA1CA2CA9 |
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-2001034578-A1 | COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY | ASTRAZENECA AB (SE) | 2001-05-17 | — | — | WO | disclosed |