Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9081277 | 0.88 | NPC1 (0.42) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL11095434 | 0.84 | SIGMAR1 (0.46) | AOC3 | |
| SCHEMBL8086805 | 0.82 | HTR2A (0.41) | HTR2AAOC3 | |
| SCHEMBL25382623 | 0.81 | CNR2 (0.44) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL7466902 | 0.80 | NPC1 (0.46) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL17559642 | 0.80 | NPC1 (0.46) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL900942 | 0.80 | ADRA2B (0.54) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL17161709 | 0.80 | NPC1 (0.46) | NPC1RAB9AADRA2BADRA2CSLC6A2 | |
| SCHEMBL6681598 | 0.78 | ANPEP (0.42) | NPC1RAB9ACA12CA9ANPEP | |
| SCHEMBL27768608 | 0.78 | ANPEP (0.42) | NPC1RAB9ACA12CA9ANPEP |
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 |