Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.42 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27536776 | 0.84 | SIRT1 (0.52) | CYP19A1MAOAMAOBNPC1MAPT | |
| SCHEMBL3639133 | 0.83 | SIRT2 (0.57) | MAPTSIRT2CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL31678976 | 0.83 | SIRT2 (0.57) | MAPTSIRT2CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL2037764 | 0.83 | SIRT2 (0.57) | MAPTSIRT2CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL1415250 | 0.81 | ALDH1A1 (0.54) | NPC1MAPTSIRT1SIRT2RAB9A | |
| SCHEMBL14387634 | 0.80 | CYP19A1 (0.63) | CYP19A1MAOAMAOBNPSR1NPC1 | |
| SCHEMBL5387299 | 0.79 | CYP19A1 (0.49) | CYP19A1MAOAMAOBNPSR1MAPT | |
| SCHEMBL5387303 | 0.79 | CYP19A1 (0.49) | CYP19A1MAOAMAOBNPSR1MAPT | |
| SCHEMBL27544618 | 0.79 | NFE2L2 (0.61) | CYP19A1MAOBNPC1MAPTRAB9A | |
| SCHEMBL2775447 | 0.76 | CYP19A1 (0.68) | CYP19A1MAOAMAOBNPSR1NPC1 |
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-100358888-C | Novel guanidine mimics as factor Xa inhibitors | DU PONT MERCK PHARMA (US) | 2008-01-02 | — | — | CN | disclosed |
| CN-1259942-A | Novel guanidine mimics as factor Xa inhibitors | DU PONT MERCK PHARMA (US) | 2000-07-12 | — | — | CN | disclosed |