Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PPM1B | O75688 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GAPDH | P04406 | 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 | |
|---|---|---|---|---|
| SCHEMBL30976643 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL13672343 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL22022494 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL13486952 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL15127532 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL14356269 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL14199405 | 0.81 | ALDH1A1 (0.54) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL14199413 | 0.80 | ALDH1A1 (0.52) | ALDH1A1POLBGAAMAPK1NPSR1 | |
| SCHEMBL7932128 | 0.79 | ALDH1A1 (0.38) | ALDH1A1GAAKMT2AMAPTABCB1 | |
| SCHEMBL10148625 | 0.78 | NT5E (0.39) | ALDH1A1ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6335458-B1 | COMPOUNDS CORRESPONDING TO A RING PART OF VITAMIN D DERIVATIVES HAVING 3-HYDROXYPROPYLOXY GROUP AT 2 BETA-POSITION | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2002-01-01 | — | — | US | disclosed |
| EP-1072582-A1 | INTERMEDIATE COMPOUNDS IN THE SYNTHESIS OF THE A RING MOIETY OF 2-SUBSTITUTED VITAMIN D DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2001-01-31 | — | — | EP | disclosed |