Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL7195228 | 1.00 | CA1 (0.49) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL7189854 | 1.00 | CA1 (0.49) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL7189861 | 1.00 | CA1 (0.49) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL3545052 | 0.83 | CA1 (0.53) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL13547256 | 0.83 | CA1 (0.53) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL3545056 | 0.83 | CA1 (0.53) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL18824991 | 0.81 | CA1 (0.50) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL5229745 | 0.78 | CA1 (0.54) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL3557233 | 0.78 | CA1 (0.54) | CA1CA2ALDH1A1TP53CYP3A4 | |
| SCHEMBL7190391 | 0.78 | CA1 (0.54) | CA1CA2ALDH1A1TP53CYP3A4 |
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-2003080567-A2 | INTERMEDIATES FOR THE SYNTHESIS OF DISCODERMOLIDE AND RELATED ANALOGUES AND METHODS FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-10-02 | — | — | WO | disclosed |