Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | TNF | P01375 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | PDE6D | O43924 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.55 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TSPO | P30536 | 2/20 | 0.54 |
| ▸ | CFTR | P13569 | 1/20 | 0.54 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780057 | 0.88 | CYP2C19 (0.60) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL4784826 | 0.85 | CYP2C19 (0.57) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL4784069 | 0.81 | CYP2C19 (0.60) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL3484774 | 0.79 | TNF (0.56) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL38658934 | 0.78 | SMN1; SMN2 (0.56) | CYP2C19CYP2C9CYP1A2KDM4EPOLB | |
| SCHEMBL7792012 | 0.78 | L3MBTL1 (0.54) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL9427638 | 0.76 | TNF (0.65) | CYP2C19CYP2C9CYP1A2TNFKDM4E | |
| SCHEMBL152719 | 0.76 | TNF (0.65) | CYP2C19CYP2C9CYP1A2TNFLMNA | |
| SCHEMBL5918179 | 0.75 | HTT (0.67) | CYP2C19CYP2C9CYP1A2KDM4EPOLB | |
| SCHEMBL4728304 | 0.75 | CYP1A2 (0.53) | CYP2C19CYP2C9CYP1A2LMNASMN1; SMN2 |
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-2008033739-A2 | BENZIMIDAZOLE CARBOXAMIDE DERIVATIVES | NEUROGEN CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |