Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364346 | 0.92 | GABRG2 (0.43) | GABRG2GABRB3GABRA2CHRM3F2 | |
| SCHEMBL28759985 | 0.88 | GABRG2 (0.41) | GABRG2GABRB3GABRA2CHRM3BRD9 | |
| SCHEMBL3365908 | 0.84 | BRD4 (0.44) | MAPTHPGDSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3365035 | 0.82 | TP53 (0.39) | MAPTHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL3362490 | 0.81 | HRH4 (0.40) | ELANEALDH1A1 | |
| SCHEMBL3368191 | 0.81 | TUBB4A (0.38) | MAPTPLAUELANEKDR | |
| SCHEMBL3364428 | 0.81 | GABRG2 (0.41) | GABRG2GABRB3GABRA2CHRM3BRD9 | |
| SCHEMBL3364363 | 0.81 | HSP90AA1 (0.41) | SMN1; SMN2 | |
| SCHEMBL3364228 | 0.78 | CRHR1 (0.46) | CNR1CNR2HPGDALDH1A1 | |
| SCHEMBL3367673 | 0.78 | S1PR4 (0.38) | HPGDSMN1; SMN2ALDH1A1 |
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 |