Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL6415772 | 0.77 | MAOA (0.35) | ALDH1A1 | |
| SCHEMBL8699302 | 0.76 | NR3C1 (0.32) | CA2ALDH1A1 | |
| SCHEMBL31513481 | 0.75 | MAOA (0.39) | — | |
| Propionic Acid SCHEMBL16830268 | 0.74 | L3MBTL1 (0.36) | ALDH1A1 | |
| Water SCHEMBL15284972 | 0.73 | MAOA (0.38) | — | |
| Hydrochloric Acid SCHEMBL8707066 | 0.73 | MAOA (0.38) | — | |
| SCHEMBL7679301 | 0.73 | MAOA (0.38) | — | |
| Propionic Acid SCHEMBL19423437 | 0.73 | GLA (0.33) | ALDH1A1 | |
| Carbamic Acid SCHEMBL6649969 | 0.71 | HSD17B10 (0.34) | ALDH1A1CYP2C19 | |
| SCHEMBL725026 | 0.70 | — | — |
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-2011073276-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073273-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |