Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CTSC | P53634 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28609690 | 0.78 | EPHX1 (0.60) | CYP2C19LMNACTSCPKMALDH1A1 | |
| SCHEMBL7316620 | 0.76 | CTSK (0.57) | CYP2C19LMNACTSCPKMALDH1A1 | |
| SCHEMBL7306179 | 0.75 | CTSC (0.68) | CYP2C19CTSCPKMALDH1A1 | |
| SCHEMBL23513652 | 0.73 | CYP2C19 (0.64) | CYP2C19LMNACTSCALDH1A1RAB9A | |
| SCHEMBL7445569 | 0.73 | FCER2 (0.49) | CYP2C19LMNACTSCPKMALDH1A1 | |
| SCHEMBL6122797 | 0.72 | CYP2C19 (0.61) | CYP2C19LMNACTSCALDH1A1RAB9A | |
| SCHEMBL7317031 | 0.72 | MMP9 (0.46) | LMNAALDH1A1HPGDS | |
| SCHEMBL18925302 | 0.71 | CTSK (0.49) | CYP2C19LMNACTSCALDH1A1RAB9A | |
| SCHEMBL29290747 | 0.71 | CYP2C19 (0.66) | CYP2C19LMNACTSCPKMALDH1A1 | |
| SCHEMBL7437631 | 0.71 | MME (0.57) | — |
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 |