Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | USP8 | P40818 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227326 | 0.87 | TSHR (0.49) | NQO1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL2088644 | 0.86 | NQO1 (0.46) | NQO1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL26986651 | 0.86 | NQO1 (0.46) | NQO1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL7048544 | 0.86 | KDM4E (0.53) | NQO1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL20412651 | 0.77 | CCR1 (0.62) | NQO1KDM4EMAPTGAAALDH1A1 | |
| SCHEMBL21121957 | 0.76 | PDE2A (0.59) | NQO1KDM4EALDH1A1LMNAPOLB | |
| SCHEMBL5225009 | 0.76 | GAA (0.42) | NQO1KDM4EMAPTGAAALDH1A1 | |
| Caerulomycinonitrile SCHEMBL8515198 | 0.75 | HSP90AA1 (0.54) | KDM4EMAPTGAAALDH1A1L3MBTL1 | |
| SCHEMBL503826 | 0.74 | CCR1 (0.55) | NQO1KDM4EMAPTALDH1A1MAPK1 | |
| SCHEMBL29705335 | 0.74 | NQO1 (0.43) | NQO1KDM4EMAPTGAAALDH1A1 |
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-2002068417-A3 | HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | SLASSI ABDELMALIK (CA) | 2002-11-14 | — | — | WO | disclosed |