Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18567611 | 0.98 | MEN1 (0.47) | MEN1KMT2ASMN1; SMN2CFTRKCNH2 | |
| SCHEMBL20749239 | 0.94 | CFTR (0.44) | MEN1KMT2ASMN1; SMN2CFTRTAAR1 | |
| SCHEMBL9073051 | 0.90 | TAAR1 (0.52) | MEN1KMT2ASMN1; SMN2CFTRKCNH2 | |
| SCHEMBL8308252 | 0.88 | MEN1 (0.51) | MEN1KMT2ASMN1; SMN2CFTRKCNH2 | |
| SCHEMBL18568047 | 0.88 | TAAR1 (0.45) | MEN1KMT2ASMN1; SMN2CFTRTAAR1 | |
| SCHEMBL11852687 | 0.85 | KCNH2 (0.50) | KCNH2CXCR5KDM4EGPR84 | |
| SCHEMBL28296316 | 0.83 | KCNH2 (0.54) | KCNH2CXCR5KDM4EGPR84 | |
| SCHEMBL27563780 | 0.83 | KCNH2 (0.54) | KCNH2CXCR5KDM4EGPR84 | |
| SCHEMBL11910714 | 0.83 | TAAR1 (0.54) | MEN1KMT2ASMN1; SMN2CFTRKCNH2 | |
| SCHEMBL9695394 | 0.83 | KCNH2 (0.54) | KCNH2CXCR5KDM4EGPR84 |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |