Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7369578 | 0.84 | CYP2D6 (0.52) | CA2ALDH1A1VDRHTR6CYP2D6 | |
| SCHEMBL7368942 | 0.84 | CYP2D6 (0.52) | CA2ALDH1A1VDRHTR6CYP2D6 | |
| SCHEMBL8397513 | 0.83 | CA2 (0.46) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL6086229 | 0.83 | CA2 (0.46) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL8445071 | 0.83 | CA2 (0.48) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL8393923 | 0.82 | ALDH1A1 (0.47) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL31266630 | 0.74 | CYP3A4 (0.43) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL21449757 | 0.74 | CYP2D6 (0.49) | ALDH1A1KDM4EMAPTCYP2D6LMNA | |
| SCHEMBL22750911 | 0.74 | CA2 (0.40) | CA2ALDH1A1KDM4EF2MAPT | |
| SCHEMBL26761570 | 0.74 | CA2 (0.40) | CA2ALDH1A1KDM4EF2MAPT |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |