Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 9/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | EBP | Q15125 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27541310 | 0.87 | ABCB1 (0.39) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5756895 | 0.85 | EBP (0.39) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5754384 | 0.84 | EBP (0.38) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5755590 | 0.84 | EBP (0.38) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5752959 | 0.84 | EBP (0.51) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL7310593 | 0.84 | EBP (0.51) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5753427 | 0.82 | CYP3A4 (0.43) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5751877 | 0.80 | CYP3A4 (0.40) | ABCB1CYP3A4CYP3A5TSHRLMNA | |
| SCHEMBL5756697 | 0.80 | EBP (0.35) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 | |
| SCHEMBL5754191 | 0.78 | CYP3A4 (0.40) | ABCB1CYP3A4CYP3A5EBPSIGMAR1 |
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 |