Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | RPA1 | P27694 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.39 |
| ▸ | BAD | Q92934 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | F11 | P03951 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364109 | 0.91 | GABRG2 (0.41) | GABRG2GABRB3GABRA2KMORPA1 | |
| SCHEMBL3365869 | 0.88 | CYP3A4 (0.40) | GABRG2GABRB3GABRA2ENPP1CNR2 | |
| SCHEMBL3364407 | 0.86 | HSD17B10 (0.44) | GABRG2GABRB3GABRA2ENPP1KMT2A | |
| SCHEMBL3365574 | 0.84 | BRD4 (0.47) | PIN1MCL1BADKMT2AGRIA2 | |
| SCHEMBL4700361 | 0.82 | CRHR1 (0.40) | GABRG2GABRB3GABRA2MCL1KMT2A | |
| SCHEMBL18512112 | 0.78 | CYP1A2 (0.43) | KMT2A | |
| SCHEMBL3363948 | 0.78 | GPR35 (0.40) | GABRG2GABRB3GABRA2ENPP1DHODH | |
| SCHEMBL3368008 | 0.78 | HRH4 (0.43) | — | |
| SCHEMBL3367042 | 0.78 | DHODH (0.41) | KMT2ADHODH | |
| SCHEMBL14231320 | 0.77 | ENPP1 (0.42) | GABRG2GABRB3GABRA2ENPP1KMT2A |
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 |