Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032303 | 0.98 | CYP1A2 (0.59) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL8514419 | 0.96 | CYP1A2 (0.57) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL8512409 | 0.92 | CYP1A2 (0.67) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL23854090 | 0.92 | CYP1A2 (0.67) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL26180910 | 0.89 | CYP1A2 (0.68) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL8380184 | 0.89 | CYP1A2 (0.68) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL8381328 | 0.87 | CYP1A2 (0.65) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| Sebacic Acid SCHEMBL4458306 | 0.85 | CYP1A2 (0.63) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA | |
| SCHEMBL9644791 | 0.85 | HSD17B10 (0.52) | CYP1A2MAPK1SMN1; SMN2PAOXHSD17B10 | |
| SCHEMBL5032280 | 0.83 | CYP1A2 (0.52) | CYP1A2MAPK1SMN1; SMN2PAOXLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008134289-A2 | HIGH RELAXIVITY COORDINATIVELY UNSATURATED LANTHANIDE COMPLEXES | MALLINCKRODT INC. (US) | 2008-11-06 | — | — | WO | claimed |