Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1577060 | 0.96 | PTGER1 (0.40) | KMT2APDE10ADRD2ADRA1DADRA1A | |
| SCHEMBL1577408 | 0.94 | DHFR (0.41) | KMT2APDE10ADRD2ADRA1DADRA1A | |
| SCHEMBL1577424 | 0.91 | DHFR (0.40) | KMT2APTGER1KDM2BKDM4CDHFR | |
| SCHEMBL1577164 | 0.86 | SLC6A4 (0.40) | PTGER1 | |
| SCHEMBL1482619 | 0.85 | KMT2A (0.45) | KMT2APDE10ATP53ALDH1A1HTT | |
| SCHEMBL1577515 | 0.85 | KMT2A (0.43) | KMT2APDE10ATP53DRD4ALDH1A1 | |
| SCHEMBL1577245 | 0.85 | SLC6A4 (0.41) | PTGER1 | |
| SCHEMBL1577541 | 0.85 | SLC6A4 (0.41) | PTGER1 | |
| SCHEMBL1577472 | 0.83 | KDM4E (0.41) | PDE10AKDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1482610 | 0.82 | KMT2A (0.43) | KMT2ATP53PTGER1ALDH1A1HTT |
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 |