Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.50 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL1793080 | 0.77 | KCNH2 (0.62) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30930843 | 0.74 | KCNH2 (1.00) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1793916 | 0.74 | KCNH2 (1.00) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL30930842 | 0.74 | KCNH2 (1.00) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28492509 | 0.72 | NPC1 (0.52) | KDM4ENPC1ALDH1A1LMNAMAPT | |
| SCHEMBL5832695 | 0.70 | SLC6A2 (0.46) | KDM4ENPC1ALDH1A1LMNAMAPT | |
| SCHEMBL5346985 | 0.70 | KCNH2 (0.50) | KCNH2CHRNA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2762809 | 0.70 | CHRNA3 (0.67) | CHRNA3CHRNA7HTR3A | |
| SCHEMBL2762690 | 0.69 | CHRNA3 (0.45) | CHRNA3CHRNA7HTR3ASLC6A2SLC6A4 | |
| SCHEMBL5833414 | 0.69 | SLC6A2 (0.42) | CHRNB4CHRNA3KDM4ENPC1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258682-A2 | Amino-substituted tricyclic derivatives and methods of use | Abbott Laboratories (US) | 2010-12-08 | — | — | EP | disclosed |