Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 8/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1137177 | 0.77 | NQO2 (0.47) | NQO2MRGPRX4ALDH1A1KMT2ANOTUM | |
| SCHEMBL2905353 | 0.76 | NQO2 (0.56) | NQO2MRGPRX4ALDH1A1 | |
| SCHEMBL9462823 | 0.76 | NQO2 (0.75) | NQO2MRGPRX4 | |
| SCHEMBL6163871 | 0.75 | NQO2 (0.49) | NQO2MRGPRX4ALDH1A1NOTUM | |
| SCHEMBL8946324 | 0.75 | NQO2 (0.61) | NQO2MRGPRX4ALDH1A1KMT2A | |
| SCHEMBL9463012 | 0.74 | NQO2 (0.64) | NQO2MRGPRX4ALDH1A1 | |
| SCHEMBL9462760 | 0.74 | NQO2 (0.64) | NQO2 | |
| SCHEMBL8946290 | 0.74 | NQO2 (0.53) | NQO2MRGPRX4ALDH1A1 | |
| SCHEMBL3281702 | 0.73 | KDM4E (0.50) | NQO2ALDH1A1KMT2AGABRA2GABRB2 | |
| SCHEMBL245102 | 0.73 | MAPK1 (0.46) | NQO2MRGPRX4ALDH1A1KMT2ANOTUM |
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-2013030358-A1 | GLYCINE B ANTAGONISTS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2013-03-07 | — | — | WO | disclosed |