Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.66 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 3/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971063 | 0.79 | ACHE (0.64) | ACHEPARP1PARP10NOS3SRD5A1 | |
| SCHEMBL2585275 | 0.79 | ACHE (1.00) | ACHEPARP1PARP10NOS3SRD5A1 | |
| SCHEMBL28390141 | 0.75 | ACHE (0.58) | ACHEPARP1PARP10NOS3CYP19A1 | |
| SCHEMBL28883601 | 0.75 | ACHE (0.63) | ACHEPARP1PARP10NOS3HTR1A | |
| SCHEMBL28525188 | 0.75 | ACHE (0.63) | ACHEPARP1PARP10NOS3SRD5A1 | |
| SCHEMBL24897654 | 0.74 | ACHE (0.66) | ACHEPARP1PARP10NOS3SRD5A1 | |
| SCHEMBL30423715 | 0.74 | CYP19A1 (0.58) | ACHENOS3CYP19A1MAOBHTR1A | |
| SCHEMBL14939085 | 0.74 | CYP19A1 (0.58) | ACHENOS3CYP19A1MAOBHTR1A | |
| SCHEMBL8873958 | 0.73 | ACHE (0.55) | ACHEPARP1PARP10NOS3HTR1A | |
| SCHEMBL8594761 | 0.73 | ACHE (0.55) | ACHEPARP1PARP10NOS3HTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0699180-A1 | BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994026693-A1 | BICYCLIC AMIDE DERIVATIVES AND THEIR USE AS MUSCLE RELAXANTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-24 | — | — | WO | disclosed |