Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1447451 | 0.86 | HTR2C (0.36) | CYP11B1CYP11B2GAATRPA1HTR2C | |
| SCHEMBL322514 | 0.72 | TRPA1 (0.39) | CYP11B1CYP11B2GAATRPA1CA2 | |
| SCHEMBL4133299 | 0.68 | GAA (0.50) | CYP11B1CYP11B2GAACA2CA12 | |
| SCHEMBL31463289 | 0.68 | GAA (0.50) | CYP11B1CYP11B2GAACA2CA12 | |
| SCHEMBL28445528 | 0.68 | STS (0.60) | CYP11B1CYP11B2GAATRPA1HTR2C | |
| SCHEMBL29634256 | 0.68 | STS (0.60) | CYP11B1CYP11B2GAATRPA1HTR2C | |
| SCHEMBL3840318 | 0.68 | GAA (0.40) | CYP11B1CYP11B2GAATRPA1CA2 | |
| SCHEMBL1447442 | 0.68 | CHRNB2 (0.38) | HTR2CCA9NOS3NOS1NOS2 | |
| SCHEMBL28878034 | 0.66 | KDM4E (0.42) | GAACA2CA12CA1CA7 | |
| SCHEMBL1479378 | 0.66 | MAOA (0.50) | CYP11B1CYP11B2GAAMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4201923-A1 | 5-SUBSTITUTED 2,3-DIHYDROPYRIDIN-4-ONES AND PROCESS FOR PREPARING THE SAME | Karl-Franzens-Universität Graz (AT) | 2023-06-28 | — | — | EP | disclosed |
| EP-3666757-A1 | PROCESS FOR PREPARING A PIPERIDIN-4-ONE | Karl-Franzens-Universität Graz (AT) | 2020-06-17 | — | — | EP | disclosed |
| EP-2301627-A1 | Novel antimalarial 3-azabicyclo[3.2.2]nonane derivatives | University of Graz (AT) | 2011-03-30 | — | — | EP | disclosed |