Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL3368213 | 0.91 | GABRG2 (0.51) | GABRG2GABRB3GABRA2KMT2AMEN1 | |
| SCHEMBL27656674 | 0.90 | CRHR1 (0.45) | CRHR1GABRG2GABRB3GABRA2KMT2A | |
| SCHEMBL3365908 | 0.84 | BRD4 (0.44) | KMT2AMEN1KDM4EALDH1A1ADORA3 | |
| SCHEMBL3364849 | 0.82 | CRHR1 (0.43) | CRHR1GABRG2GABRB3GABRA2KMT2A | |
| SCHEMBL3365087 | 0.81 | BRD4 (0.43) | KMT2AMEN1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL27676740 | 0.81 | GABRG2 (0.48) | GABRG2GABRB3GABRA2KMT2AMEN1 | |
| SCHEMBL3367525 | 0.81 | KMT2A (0.48) | CRHR1GABRG2GABRB3GABRA2KMT2A | |
| SCHEMBL3364228 | 0.79 | CRHR1 (0.46) | CRHR1KDM4EALDH1A1 | |
| SCHEMBL27656676 | 0.78 | CRHR1 (0.44) | CRHR1GABRG2GABRB3GABRA2KMT2A | |
| SCHEMBL3363718 | 0.77 | GABRG2 (0.42) | GABRG2GABRB3GABRA2POLBALDH1A1 |
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 |