Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | EBP | Q15125 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL7313653 | 0.91 | EBP (0.43) | CYP3A4ABCB1CYP3A5CACNA1BCNR1 | |
| SCHEMBL7311139 | 0.91 | EBP (0.43) | CYP3A4ABCB1CYP3A5CACNA1BCNR1 | |
| SCHEMBL7309649 | 0.90 | MTNR1A (0.43) | CYP3A4ABCB1CYP3A5CACNA1BKMT2A | |
| SCHEMBL7315211 | 0.89 | POLB (0.39) | CYP3A4ABCB1CYP3A5CACNA1BEBP | |
| SCHEMBL7314600 | 0.89 | GPR139 (0.39) | CYP3A4ABCB1CYP3A5CACNA1BCNR1 | |
| SCHEMBL7308820 | 0.83 | CYP3A4 (0.38) | CYP3A4ABCB1CYP3A5CACNA1BEBP | |
| SCHEMBL7309344 | 0.80 | L3MBTL1 (0.37) | CYP3A4GAAALDH1A1HPGDTDP1 | |
| SCHEMBL7314922 | 0.75 | EBP (0.43) | CYP3A4ABCB1KMT2ACNR1CNR2 | |
| SCHEMBL7313591 | 0.75 | CCR1 (0.39) | HDAC1HDAC7KMT2AMEN1CNR1 | |
| SCHEMBL7316498 | 0.75 | FNTA (0.39) | CYP3A4ABCB1CYP3A5CACNA1BHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1041064-A2 | N-substituted alpha aminoacid amides as calcium channel modulators | ELI LILLY AND COMPANY LIMITED (GB) | 2000-10-04 | — | — | EP | disclosed |
| EP-0805147-A1 | Novel N-substituted alpha aminoacid amides as calcium channel modulators | LILLY INDUSTRIES LIMITED (GB) | 1997-11-05 | — | — | EP | disclosed |