Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.74 |
| ▸ | ACHE | P22303 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL25728921 | 0.91 | BCHE (0.61) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| SCHEMBL9024220 | 0.85 | BCHE (0.54) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| Dimethylamine SCHEMBL9024883 | 0.83 | CYP3A4 (0.56) | BCHEACHEKCNH2LMNAMAPK1 | |
| SCHEMBL9024873 | 0.81 | CYP3A4 (0.52) | BCHEACHEKCNH2LMNACYP2D6 | |
| SCHEMBL25728176 | 0.80 | BCHE (0.60) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| SCHEMBL12807818 | 0.79 | LMNA (0.81) | KCNH2KDM4EALDH1A1HSD17B10ALOX15 | |
| SCHEMBL4413729 | 0.77 | LMNA (0.60) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| SCHEMBL2112127 | 0.77 | LMNA (0.60) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| SCHEMBL29582278 | 0.77 | BCHE (0.77) | BCHEACHEKCNH2KDM4EALDH1A1 | |
| SCHEMBL9024153 | 0.77 | MTNR1B (0.56) | BCHEACHEMAPK1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5498717-A | CHEMICAL INTERMEDIATES FOR PRODUCING ANTITUMOR POTENTIATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-12 | — | — | US | disclosed |
| US-5446164-A | Regioselective cyclization of phenethylamide derivative in presence of phosphoric acid halide, reducing formed compound | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-29 | — | — | US | disclosed |