Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GCK | P35557 | 2/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8619504 | 0.99 | CYP1A2 (0.36) | CYP1A2ALDH1A1HPGDADORA3ADORA2A | |
| SCHEMBL8793473 | 0.78 | ALDH1A1 (0.59) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL8794286 | 0.77 | ALDH1A1 (0.57) | CYP1A2ALDH1A1HPGDKDM4ESMN1; SMN2 | |
| SCHEMBL6982369 | 0.66 | KDM4E (0.60) | CYP1A2ALDH1A1HPGDADORA3ADORA2A | |
| SCHEMBL8614885 | 0.65 | MAPK1 (0.47) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL2600725 | 0.64 | ALDH1A1 (0.73) | CYP1A2ALDH1A1HPGDADORA3ADORA2A | |
| Hydrochloric Acid SCHEMBL8619108 | 0.64 | MAPK1 (0.46) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8614516 | 0.64 | MAPK1 (0.43) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL22016197 | 0.64 | ADORA3 (0.42) | ALDH1A1HPGDADORA3ADORA2AADORA1 | |
| SCHEMBL24312482 | 0.62 | ADORA3 (0.45) | CYP1A2ALDH1A1HPGDADORA3ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5767121-A | ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-16 | — | — | US | disclosed |