Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MITF | O75030 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| Nifurtimox SCHEMBL1650162 | 0.78 | LMNA (1.00) | LMNAALDH1A1CYP2D6CYP3A4CYP2C19 | |
| Nifurtimox SCHEMBL60839 | 0.78 | LMNA (1.00) | LMNAALDH1A1CYP2D6CYP3A4CYP2C19 | |
| Nifurtimox SCHEMBL9910611 | 0.78 | LMNA (1.00) | LMNAALDH1A1CYP2D6CYP3A4CYP2C19 | |
| Nifurtimox SCHEMBL60840 | 0.78 | LMNA (1.00) | LMNAALDH1A1CYP2D6CYP3A4CYP2C19 | |
| Nifurtimox SCHEMBL2326415 | 0.77 | LMNA (0.83) | LMNAALDH1A1CYP2D6CYP3A4MAPT | |
| Benznidazole SCHEMBL45081 | 0.74 | CYP3A4 (1.00) | LMNAALDH1A1CYP2D6CYP3A4OPRK1 | |
| Nifurtimox SCHEMBL4727154 | 0.73 | LMNA (0.85) | LMNAALDH1A1CYP2D6CYP3A4THRB | |
| Nifurtimox SCHEMBL2326559 | 0.71 | LMNA (0.70) | LMNAALDH1A1CYP2D6CYP3A4MAPT | |
| SCHEMBL23003602 | 0.70 | LMNA (0.78) | LMNAALDH1A1CYP2D6CYP3A4MAPT | |
| SCHEMBL23003603 | 0.70 | LMNA (0.78) | LMNAALDH1A1CYP2D6CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |