Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15776693 | 0.90 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL5548988 | 0.90 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL25419509 | 0.90 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL26331756 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL24251635 | 0.86 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL23891826 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL14470269 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL17921382 | 0.84 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL15982310 | 0.83 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 | |
| SCHEMBL3569051 | 0.80 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3183249-B1 | 1,4,7,10-TETRAZACYCLODODECANE BASED AGENTS TO TARGET BACTERIA AND ITS USE | HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) | 2021-10-06 | — | — | EP | disclosed |