Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 8/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492214 | 0.87 | CYP3A4 (0.41) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL5753427 | 0.84 | CYP3A4 (0.43) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL5751378 | 0.82 | EBP (0.38) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL5752959 | 0.81 | EBP (0.51) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL7310593 | 0.81 | EBP (0.51) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL1640444 | 0.81 | CYP3A4 (0.65) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL3840326 | 0.77 | CYP3A4 (0.41) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL10709109 | 0.77 | ABCB1 (0.55) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL9492147 | 0.76 | ABCB1 (0.60) | CYP3A4ABCB1CYP3A5ABCC1TSHR | |
| SCHEMBL9492153 | 0.76 | ABCB1 (0.60) | CYP3A4ABCB1CYP3A5ABCC1TSHR |
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 |