Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5065423 | 0.89 | CYP2D6 (0.34) | CA1CA2ALDH1A1 | |
| SCHEMBL5025282 | 0.86 | LIPG (0.40) | ALDH1A1 | |
| SCHEMBL2811189 | 0.85 | CA1 (0.38) | CA1CA2DRD3MEN1ALDH1A1 | |
| SCHEMBL5285345 | 0.73 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL1115535 | 0.70 | ALDH1A1 (0.38) | CA1CA2MEN1ALDH1A1KMT2A | |
| SCHEMBL4306921 | 0.70 | HTR2C (0.33) | CA1CA2ALDH1A1 | |
| SCHEMBL4066186 | 0.70 | CA1 (0.41) | CA1CA2 | |
| SCHEMBL219180 | 0.70 | KDM4E (0.32) | ALDH1A1 | |
| SCHEMBL1923119 | 0.70 | CA1 (0.46) | CA1CA2 | |
| SCHEMBL5028543 | 0.68 | LIPG (0.36) | — |
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-2009136965-A1 | COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES | SEQUELLA, INC. (US) | 2009-11-12 | — | — | WO | disclosed |