Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.46 |
| ▸ | F2 | P00734 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 4/20 | 0.40 |
| ▸ | CCR2 | P41597 | 4/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7311100 | 1.00 | TACR1 (0.46) | TACR1F2CYP3A4CYP2C9PKM | |
| SCHEMBL7310074 | 0.96 | F2 (0.43) | TACR1F2CYP3A4CYP2C9PKM | |
| SCHEMBL7310064 | 0.96 | F2 (0.43) | TACR1F2CYP3A4CYP2C9PKM | |
| SCHEMBL7315997 | 0.95 | F2 (0.50) | TACR1F2CYP3A4CYP2C9PKM | |
| SCHEMBL7316012 | 0.95 | F2 (0.50) | TACR1F2CYP3A4CYP2C9PKM | |
| SCHEMBL7317805 | 0.93 | CYP3A4 (0.45) | F2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7317794 | 0.93 | CYP3A4 (0.45) | F2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7307704 | 0.92 | F2 (0.46) | F2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7307712 | 0.92 | F2 (0.46) | F2CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL7306032 | 0.91 | F2 (0.49) | F2CYP3A4CYP2C9PKMCYP2C19 |
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 |