Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 13/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18726009 | 0.73 | NOTUM (0.55) | NOTUMKEAP1HCRTR1HCRTR2 | |
| SCHEMBL1188176 | 0.69 | NOTUM (0.52) | NOTUMCYP19A1KEAP1 | |
| SCHEMBL20409464 | 0.69 | NOTUM (0.61) | NOTUMCYP19A1KCNH2GPR119KEAP1 | |
| SCHEMBL1163413 | 0.69 | NOTUM (0.61) | NOTUMCYP19A1KEAP1 | |
| SCHEMBL10447781 | 0.69 | NOTUM (0.78) | NOTUMCYP19A1KEAP1 | |
| SCHEMBL18726002 | 0.68 | NOTUM (0.53) | NOTUMKEAP1HCRTR1HCRTR2 | |
| SCHEMBL1998095 | 0.67 | CNR2 (0.55) | KDM4EALDH1A1MAPTKMT2AGPR119 | |
| SCHEMBL29208501 | 0.67 | GRIN2D (0.53) | KDM4EMEN1ALDH1A1LMNAGAA | |
| SCHEMBL2000301 | 0.67 | GRIN2D (0.53) | KDM4EMEN1ALDH1A1LMNAGAA | |
| SCHEMBL2005867 | 0.67 | DHFR (0.46) | MEN1KMT2AGPR119 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | claimed |
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |