Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.42 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL3364994 | 0.89 | BRD4 (0.46) | BRD4LMNAMAPK1ALDH1A1HPGD | |
| SCHEMBL3365869 | 0.84 | CYP3A4 (0.40) | BRD4ALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL3365166 | 0.84 | GABRG2 (0.42) | KMT2AGRIA2GRIA4PIN1MCL1 | |
| SCHEMBL3362827 | 0.83 | GABRG2 (0.50) | ALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL3367525 | 0.83 | KMT2A (0.48) | ALDH1A1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL3368049 | 0.81 | DHODH (0.41) | MCL1 | |
| SCHEMBL3365908 | 0.80 | BRD4 (0.44) | BRD4LMNAMAPK1ALDH1A1HPGD | |
| SCHEMBL3364109 | 0.80 | GABRG2 (0.41) | ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL3364589 | 0.77 | BRD4 (0.44) | BRD4 | |
| SCHEMBL27359949 | 0.77 | BRD4 (0.45) | BRD4ALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1656353-B1 | GABANERGIC MODULATORS | HOFFMANN LA ROCHE (CH) | 2010-01-27 | — | — | EP | claimed |