Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 12/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 12/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 12/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3367525 | 0.91 | KMT2A (0.48) | GABRG2GABRB3GABRA2CYP2D6CYP2C9 | |
| SCHEMBL3364215 | 0.90 | GABRG2 (0.52) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL3365574 | 0.83 | BRD4 (0.47) | KMT2AALDH1A1MAPTHPGD | |
| SCHEMBL27676741 | 0.83 | GABRG2 (0.48) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL27676740 | 0.82 | GABRG2 (0.48) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL3368213 | 0.81 | GABRG2 (0.51) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL3364849 | 0.81 | CRHR1 (0.43) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL13538626 | 0.80 | GABRG2 (0.46) | GABRG2GABRB3GABRA2GABRA1GABRA5 | |
| SCHEMBL3364589 | 0.77 | BRD4 (0.44) | — | |
| SCHEMBL3365793 | 0.75 | HASPIN (0.37) | KMT2AMEN1ALDH1A1MAPTHPGD |
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 |