Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 7/20 | 0.40 |
| ▸ | PPARA | Q07869 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CPA1 | P15085 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743185 | 1.00 | CYP1A2 (0.41) | CYP1A2PPARGPPARAALDH1A1LMNA | |
| SCHEMBL7424666 | 0.82 | CYP1A2 (0.46) | CYP1A2PPARGPPARAALDH1A1POLB | |
| SCHEMBL7424670 | 0.82 | CYP1A2 (0.46) | CYP1A2PPARGPPARAALDH1A1POLB | |
| SCHEMBL7421113 | 0.75 | CPA1 (0.43) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL7421118 | 0.75 | CPA1 (0.43) | CYP1A2PPARGPPARASRRALPI | |
| SCHEMBL8650267 | 0.75 | L3MBTL1 (0.42) | CYP1A2PPARGPPARAL3MBTL1SLC7A5 | |
| SCHEMBL1881896 | 0.74 | CYP1A2 (0.47) | CYP1A2PPARGPPARAALDH1A1LMNA | |
| SCHEMBL1878620 | 0.74 | CYP1A2 (0.47) | CYP1A2PPARGPPARAALDH1A1LMNA | |
| SCHEMBL3963417 | 0.74 | CYP1A2 (0.47) | CYP1A2PPARGPPARAALDH1A1LMNA | |
| SCHEMBL4964530 | 0.73 | CYP1A2 (0.50) | CYP1A2ALDH1A1POLBHSD17B10L3MBTL1 |
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-6420418-B1 | INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE | MERCK & CO., INC. | 2002-07-16 | — | — | US | disclosed |