Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048322 | 1.00 | ALDH1A1 (0.45) | ALDH1A1PKLRHPGDL3MBTL1LMNA | |
| SCHEMBL8053633 | 0.89 | ALDH1A1 (0.43) | ALDH1A1HPGDL3MBTL1LMNAUSP2 | |
| SCHEMBL4530583 | 0.88 | EPHX2 (0.46) | ALDH1A1HPGDL3MBTL1LMNAUSP2 | |
| SCHEMBL4535853 | 0.88 | FBP1 (0.46) | ALDH1A1HPGDLMNAHSD11B1MEN1 | |
| SCHEMBL4531159 | 0.88 | ALDH1A1 (0.51) | ALDH1A1HPGDL3MBTL1LMNAGAA | |
| SCHEMBL4542831 | 0.88 | ALDH1A1 (0.53) | ALDH1A1HPGDL3MBTL1LMNAGAA | |
| SCHEMBL4534329 | 0.88 | PKM (0.49) | ALDH1A1HPGDLMNAUSP2POLB | |
| SCHEMBL8060988 | 0.88 | PKM (0.49) | ALDH1A1HPGDLMNAUSP2POLB | |
| SCHEMBL4539846 | 0.86 | JAK2 (0.43) | ALDH1A1HPGDL3MBTL1LMNAUSP2 | |
| SCHEMBL4539836 | 0.85 | KMT2A (0.49) | ALDH1A1LMNAPOLBMEN1KMT2A |
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-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | claimed |