Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | BRPF1 | P55201 | 7/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | BRD1 | O95696 | 4/20 | 0.37 |
| ▸ | BRPF3 | Q9ULD4 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.37 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7443481 | 0.85 | RORC (0.45) | BRPF1RORCENPP3CDC7BRD1 | |
| SCHEMBL1313567 | 0.82 | TSHR (0.46) | BRPF1RORCENPP3CDC7DRD2 | |
| SCHEMBL10053515 | 0.77 | BRPF1 (0.45) | CYP2A6BRPF1ENPP3CDC7BRD1 | |
| Bromide SCHEMBL7489164 | 0.76 | ENPP3 (0.39) | BRPF1RORCENPP3CDC7 | |
| SCHEMBL27969722 | 0.76 | ENPP3 (0.42) | CYP2A6BRPF1RORCENPP3CDC7 | |
| SCHEMBL28265765 | 0.76 | ENPP3 (0.42) | CYP2A6BRPF1ENPP3CDC7DRD2 | |
| SCHEMBL16979076 | 0.75 | CYP1A2 (0.44) | CYP2A6DHFR | |
| SCHEMBL16452837 | 0.75 | MAPT (0.50) | CYP2A6DHFR | |
| SCHEMBL12693650 | 0.74 | KDM4E (0.51) | DHFR | |
| SCHEMBL16440989 | 0.74 | MCL1 (0.51) | DHFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012006203-A1 | N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |