Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.72 |
| ▸ | MAOB | P27338 | 5/20 | 0.66 |
| ▸ | MAOA | P21397 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | TP53 | P04637 | 2/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.55 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.52 |
| ▸ | TUBB | P07437 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877653 | 1.00 | CYP1B1 (0.72) | CYP1B1MAOBMAOAALDH1A1LMNA | |
| SCHEMBL13680424 | 0.92 | CYP1B1 (0.68) | CYP1B1MAOBMAOAALDH1A1LMNA | |
| SCHEMBL12306185 | 0.88 | CYP1B1 (0.63) | CYP1B1MAOBMAOAALDH1A1LMNA | |
| SCHEMBL699741 | 0.87 | CYP1B1 (0.71) | CYP1B1MAOBALDH1A1LMNATP53 | |
| SCHEMBL7913782 | 0.87 | CYP1B1 (0.71) | CYP1B1MAOBALDH1A1LMNATP53 | |
| SCHEMBL7641857 | 0.85 | MAPT (0.66) | CYP1B1MAOBALDH1A1LMNATP53 | |
| SCHEMBL14601354 | 0.85 | MAPT (0.66) | CYP1B1MAOBALDH1A1LMNATP53 | |
| SCHEMBL2754551 | 0.85 | CYP1B1 (0.60) | CYP1B1MAOBALDH1A1LMNATP53 | |
| SCHEMBL13203438 | 0.83 | CYP1B1 (0.69) | CYP1B1MAOBMAOAALDH1A1LMNA | |
| SCHEMBL12948633 | 0.82 | CYP1B1 (0.60) | CYP1B1MAOBALDH1A1LMNATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691322-A | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-11-25 | — | — | US | disclosed |
| US-5686433-A | CHOLESTEROL BIOSYNTHESIS INHIBITION | E.R. SQUIBB & SONS, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5506219-A | ANTICHOLESTEROL AND ANTILIPEMIC AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-04-09 | — | — | US | disclosed |