Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL13670463 | 0.85 | — | — | |
| SCHEMBL23175338 | 0.78 | — | — | |
| SCHEMBL19545759 | 0.76 | CA1 (0.50) | CA1CA2CA4 | |
| SCHEMBL904344 | 0.74 | CA1 (0.48) | CA1CA2CA4 | |
| SCHEMBL18571547 | 0.72 | — | — | |
| SCHEMBL8273624 | 0.69 | — | — | |
| SCHEMBL12068011 | 0.67 | — | — | |
| SCHEMBL24270373 | 0.67 | — | — | |
| SCHEMBL18576618 | 0.67 | CHRM5 (0.39) | — | |
| SCHEMBL24490722 | 0.67 | CYP1A2 (0.33) | ALDH1A1 |
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-2010034028-A1 | PEPTIDOMIMETIC MARCROCYCLES | AILERON THERAPEUTICS, INC. (US) | 2010-03-25 | — | — | WO | disclosed |