Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 9/20 | 0.42 |
| ▸ | NOS3 | P29474 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 7/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13131641 | 0.80 | KDM4E (0.39) | KDM4EMEN1ALDH1A1POLBMAPT | |
| SCHEMBL14385532 | 0.77 | KCNH2 (0.47) | KDM4EALDH1A1HRH3 | |
| SCHEMBL18157907 | 0.76 | KDM4E (0.45) | NOS2NOS3KDM4EMEN1ALDH1A1 | |
| SCHEMBL20909886 | 0.75 | UHRF1 (0.43) | NOS2NOS3KDM4EMEN1ALDH1A1 | |
| SCHEMBL11303647 | 0.75 | TDP1 (0.38) | NOS2NOS3KDM4EALDH1A1POLB | |
| SCHEMBL14259370 | 0.75 | KDM4E (0.35) | KDM4EMEN1ALDH1A1POLBMAPT | |
| SCHEMBL522437 | 0.74 | GRIN2D (0.44) | KDM4EMEN1ALDH1A1POLBMAPT | |
| SCHEMBL11514418 | 0.74 | POLB (0.42) | KDM4EMEN1ALDH1A1POLBMAPT | |
| SCHEMBL11306734 | 0.74 | TDP1 (0.37) | NOS2KDM4EALDH1A1POLBMAPK1 | |
| SCHEMBL6464978 | 0.72 | NOS2 (0.70) | NOS2NOS3NOS1 |
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-2008025886-A1 | METAL CHELATES AND CHELATING AGENTS CONTAINING TRIAZOLYL SUBUNITS | WALLAC OY (FI) | 2008-03-06 | — | — | WO | disclosed |