Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6120350 | 0.87 | CA2 (0.33) | CYP2C19ALDH1A1CYP3A4ALOX15CA2 | |
| SCHEMBL6119903 | 0.84 | APLNR (0.36) | APLNR | |
| SCHEMBL6120132 | 0.84 | ADRB2 (0.33) | — | |
| SCHEMBL6118977 | 0.82 | APLNR (0.36) | CA2APLNR | |
| SCHEMBL6120126 | 0.82 | CA2 (0.33) | CYP2C19ALDH1A1CA2APLNRCYP2C9 | |
| SCHEMBL6119527 | 0.81 | CA2 (0.32) | CA2APLNR | |
| SCHEMBL6119574 | 0.81 | APLNR (0.36) | CA2APLNR | |
| SCHEMBL6119365 | 0.79 | APLNR (0.33) | CA2APLNR | |
| SCHEMBL6119273 | 0.79 | CA2 (0.30) | CA2 | |
| SCHEMBL4773268 | 0.77 | FAAH (0.33) | CA2 |
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-2012067663-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-05-24 | — | — | WO | disclosed |