Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL6779438 | 0.80 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1ALDH1A3CYP2A6EPHX2 | |
| SCHEMBL7212624 | 0.79 | SMN1; SMN2 (0.41) | KMT2AL3MBTL1NPC1 | |
| SCHEMBL6364681 | 0.77 | ALDH1A1 (0.48) | ALDH1A1CYP2A6ALDH5A1ABATTBXAS1 | |
| SCHEMBL5057067 | 0.70 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3CYP2A6ALDH5A1 | |
| SCHEMBL498799 | 0.70 | ALDH1A1 (0.41) | ALDH1A1CYP2A6L3MBTL1MAPTHPGD | |
| SCHEMBL11540230 | 0.67 | ALDH1A1 (0.44) | ALDH1A1ALDH3A1ALDH1A3CYP2A6KMT2A | |
| Alcohol SCHEMBL28077246 | 0.66 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3CYP2A6ALDH5A1 | |
| SCHEMBL710758 | 0.66 | ALDH1A1 (0.58) | ALDH1A1ALDH3A1ALDH1A3CYP2A6ALDH5A1 | |
| SCHEMBL833952 | 0.66 | ALDH1A1 (0.52) | ALDH1A1CYP2A6ALDH5A1ABATTDP1 | |
| Bicarbonate SCHEMBL27621047 | 0.66 | ALDH1A1 (0.70) | ALDH1A1ALDH3A1ALDH1A3CYP2A6ALDH5A1 |
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-1328508-A2 | PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES | Bayer Aktiengesellschaft (DE) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002028821-A2 | PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-11 | — | — | WO | disclosed |