Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLA1 | P09884 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6701498 | 0.96 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6669451 | 0.94 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6670162 | 0.91 | HTR2A (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7847400 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7845988 | 0.90 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7843009 | 0.90 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7848592 | 0.85 | HRH3 (0.45) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7848275 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL6667769 | 0.85 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDGAAGLA | |
| SCHEMBL7846819 | 0.85 | HTR2A (0.43) | ALDH1A1KDM4EHPGDGAAGLA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004019932-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | claimed |
| WO-2004019932-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | disclosed |