Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.53 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.35 |
| ▸ | HK1 | P19367 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9591821 | 0.80 | PDK2 (0.71) | PDK2PDK4ALDH1A1POLBMAPT | |
| SCHEMBL23022764 | 0.74 | ACVR1 (0.52) | SMN1; SMN2L3MBTL1CYP1A2CASP7 | |
| SCHEMBL12778078 | 0.74 | PDK2 (0.63) | PDK2PDK4SMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL319934 | 0.70 | PDK2 (1.00) | PDK2PDK4GAAALDH1A1POLB | |
| SCHEMBL29518706 | 0.70 | PDK2 (1.00) | PDK2PDK4GAAALDH1A1POLB | |
| SCHEMBL13729850 | 0.68 | ELANE (0.57) | PDK2PDK4SMN1; SMN2L3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27740779 | 0.68 | PDK2 (0.96) | PDK2PDK4GAAALDH1A1POLB | |
| SCHEMBL12320651 | 0.67 | KMT2A (0.46) | GAAL3MBTL1ALDH1A1POLBMAPT | |
| SCHEMBL842406 | 0.67 | PDK2 (0.59) | PDK2PDK4SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL12237301 | 0.67 | PDK2 (0.53) | PDK2PDK4GAASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20110094043-A1 | Method of synthesis of tetradentate amide macrocycle ligand and its metal-complex | BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS | 2011-04-28 | — | — | US | disclosed |