Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | EGLN2 | Q96KS0 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19418221 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL28621328 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL1826488 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL10340434 | 0.76 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL15903050 | 0.75 | ALDH1A1 (0.39) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL22911844 | 0.71 | KDM4E (0.46) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL451375 | 0.71 | — | — | |
| SCHEMBL1354532 | 0.71 | GAA (0.43) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL1354531 | 0.71 | GAA (0.43) | ALDH1A1KDM4EL3MBTL1LMNAGAA | |
| SCHEMBL995794 | 0.70 | GRM5 (0.54) | ALDH1A1KDM4EL3MBTL1LMNAGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |
| EP-3782986-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2021-02-24 | — | — | EP | disclosed |