Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23908897 | 0.78 | CA1 (0.40) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL29569862 | 0.77 | ALOX15 (0.50) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL550679 | 0.77 | ALOX15 (0.50) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL23966516 | 0.74 | ALDH1A1 (0.41) | ALDH1A1TSHRMAPK1KDM4ETRPA1 | |
| SCHEMBL9278590 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPK1KDM4ECYP1A2 | |
| SCHEMBL2606686 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPK1KDM4ECYP1A2 | |
| SCHEMBL13062771 | 0.72 | ALDH1A1 (0.62) | ALDH1A1TSHRMAPK1KDM4ECYP1A2 | |
| SCHEMBL551556 | 0.68 | CA1 (0.37) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL551557 | 0.68 | CA1 (0.37) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL2161158 | 0.68 | CA1 (0.37) | ALDH1A1CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3649119-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS | GALAPAGOS NV (BE) | 2021-11-03 | — | — | EP | disclosed |