Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | GALR3 | O60755 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23615553 | 0.78 | SMN1; SMN2 (0.38) | ALDH1A1KDM4EGAAHPGDMCOLN3 | |
| SCHEMBL7371062 | 0.74 | BACE1 (0.52) | ALDH1A1KDM4EGAAGALR3HPGD | |
| SCHEMBL7374419 | 0.73 | LMNA (0.40) | ALDH1A1KDM4EGAAGALR3HPGD | |
| SCHEMBL29135012 | 0.73 | HDAC7 (0.44) | ALDH1A1KDM4EHPGDMCOLN3LMNA | |
| SCHEMBL7376017 | 0.73 | NPSR1 (0.40) | ALDH1A1KDM4EGAAGALR3HPGD | |
| SCHEMBL7375894 | 0.71 | PGR (0.46) | ALDH1A1KDM4EGAAHPGDLMNA | |
| SCHEMBL7368661 | 0.70 | AR (0.41) | ALDH1A1KDM4EGAAGALR3HPGD | |
| SCHEMBL27517035 | 0.70 | GABRA1 (0.46) | ALDH1A1KDM4EGAAHPGDCYP1A2 | |
| SCHEMBL2292418 | 0.68 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDMCOLN3LMNA | |
| SCHEMBL6300024 | 0.68 | TSHR (0.44) | ALDH1A1KDM4EGAAHPGDLMNA |
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-1994021650-A1 | BORONIC ACID AND ESTER INHIBITORS OF THROMBIN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-29 | — | — | WO | disclosed |