Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23966829 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPK1KDM4EHPGD | |
| SCHEMBL23914735 | 0.76 | KDM4E (0.40) | ALDH1A1TSHRMAPK1KDM4EHPGD | |
| SCHEMBL29539686 | 0.66 | ALOX15 (0.52) | ALDH1A1TSHRMAPK1KDM4EHPGD | |
| SCHEMBL166198 | 0.66 | ALOX15 (0.52) | ALDH1A1TSHRMAPK1KDM4EHPGD | |
| SCHEMBL28456026 | 0.66 | CA1 (0.44) | ALDH1A1TSHRMAPK1KDM4ECYP1A2 | |
| SCHEMBL22259113 | 0.65 | MAPT (0.59) | ALDH1A1KDM4EHPGDCYP1A2CYP2C19 | |
| SCHEMBL23914740 | 0.62 | CA1 (0.44) | ALDH1A1KDM4EHPGDCYP1A2CYP2C19 | |
| SCHEMBL1688847 | 0.62 | ALDH1A1 (0.55) | ALDH1A1TSHRMAPK1CYP1A2NPC1 | |
| SCHEMBL3751329 | 0.62 | TRPA1 (0.62) | ALDH1A1TSHRMAPK1KDM4EHPGD | |
| SCHEMBL3751327 | 0.62 | TRPA1 (0.62) | ALDH1A1TSHRMAPK1KDM4EHPGD |
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 |