Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.57 |
| ▸ | ABAT | P80404 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.57 |
| ▸ | APP | P05067 | 5/20 | 0.50 |
| ▸ | STK17B | O94768 | 2/20 | 0.50 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | IAPP | P10997 | 1/20 | 0.44 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL972755 | 0.95 | ALDH1A1 (0.76) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| SCHEMBL2890759 | 0.88 | ALDH1A1 (0.73) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| SCHEMBL14787812 | 0.87 | ALDH1A1 (0.68) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| SCHEMBL14323012 | 0.86 | ALDH1A1 (0.71) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| SCHEMBL1425341 | 0.86 | ALDH1A1 (0.62) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| SCHEMBL14856076 | 0.85 | ALDH1A1 (0.69) | ALDH1A1TRIM24HPGDALDH5A1ABAT | |
| SCHEMBL11503669 | 0.85 | ALDH1A1 (0.69) | ALDH1A1TRIM24HPGDALDH5A1ABAT | |
| Ethyl Vanillin SCHEMBL30247 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| Ethyl Vanillin SCHEMBL29351334 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 | |
| Ethyl Vanillin SCHEMBL719058 | 0.82 | ALDH1A1 (1.00) | ALDH1A1KDM4EPTGS2RAB9ATRIM24 |
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-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |