Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 5/20 | 0.54 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12741876 | 0.96 | CFTR (0.56) | CFTRMAOBMAOAHDAC1RAF1 | |
| SCHEMBL12741525 | 0.89 | CFTR (0.55) | CFTRMAOBMAOAHDAC1RAF1 | |
| SCHEMBL6186624 | 0.89 | CFTR (0.56) | CFTRMAOBMAOAHDAC1IDO1 | |
| SCHEMBL16309355 | 0.88 | CFTR (0.54) | CFTRMAOBMAOAHDAC1 | |
| SCHEMBL14403601 | 0.88 | CFTR (0.54) | CFTRMAOBMAOAHDAC1RAF1 | |
| SCHEMBL12741871 | 0.88 | CFTR (0.54) | CFTRMAOBMAOAHDAC1 | |
| SCHEMBL12741574 | 0.88 | CFTR (0.56) | CFTRMAOBMAOAHDAC1IDO1 | |
| SCHEMBL12741439 | 0.86 | CFTR (0.58) | CFTRMAOBMAOAHDAC1LMNA | |
| SCHEMBL12741332 | 0.85 | CFTR (0.58) | CFTRMAOBHDAC1LMNASMN1; SMN2 | |
| SCHEMBL12741730 | 0.85 | CFTR (0.58) | CFTRMAOBMAOAHDAC1RAF1 |
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-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |