Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL18411501 | 0.83 | EPHX2 (0.50) | SLC6A2SLC6A4SLC6A3OPRM1KCNH2 | |
| SCHEMBL17155367 | 0.81 | PKM (0.47) | CCR5NPC1RAB9AMAPTMEN1 | |
| SCHEMBL17154975 | 0.79 | CCR5 (0.39) | CHRNB2CHRNA4CCR5MAPTMEN1 | |
| SCHEMBL9014151 | 0.78 | SLC6A2 (0.55) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL374672 | 0.78 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL18406815 | 0.77 | SCD (0.39) | OPRM1CCR5MAPT | |
| SCHEMBL2481721 | 0.77 | SLC6A2 (0.56) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL27078145 | 0.76 | ACACB (0.46) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19878954 | 0.76 | SLC6A2 (0.71) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL29739455 | 0.76 | SLC6A2 (0.71) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015150557-A1 | MACROCYLIC PYRIDINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-08 | — | — | WO | disclosed |