Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577021 | 0.91 | KDM4E (0.63) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1482932 | 0.84 | KDM4E (0.60) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1577440 | 0.82 | FFAR4 (0.38) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1577206 | 0.79 | CCR2 (0.41) | KMT2ARCE1HTR6GRIN1GRIN2B | |
| SCHEMBL1577106 | 0.79 | KDM4E (0.47) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1577408 | 0.77 | DHFR (0.41) | NPSR1KMT2ARCE1LMNAHTR6 | |
| SCHEMBL1577424 | 0.76 | DHFR (0.40) | KMT2ARCE1HTR6 | |
| SCHEMBL1577199 | 0.76 | NPSR1 (0.40) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1577485 | 0.76 | KMT2A (0.46) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1484226 | 0.74 | KDM4E (0.72) | KDM4ESMN1; SMN2CYP1A2CYP2C9CYP2C19 |
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-2483247-A1 | NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011039130-A1 | NEW BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS FXR AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-07 | — | — | WO | disclosed |