Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HTR1E | P28566 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23506675 | 0.96 | CFTR (0.56) | CFTRMAPTNPSR1HTR1ES1PR3 | |
| SCHEMBL19752874 | 0.95 | CFTR (0.56) | CFTRMAPTNPSR1HTR1ES1PR3 | |
| SCHEMBL12741439 | 0.91 | CFTR (0.58) | CFTRMAPTNPSR1LMNASMN1; SMN2 | |
| SCHEMBL23506855 | 0.90 | CFTR (0.57) | CFTRMAOAMAOBHDAC1THRB | |
| SCHEMBL12741328 | 0.90 | CFTR (0.57) | CFTRMAPTNPSR1LMNAMEN1 | |
| SCHEMBL23836906 | 0.89 | MAPT (0.56) | CFTRMAPTNPSR1HTR1ES1PR3 | |
| SCHEMBL1465627 | 0.88 | CFTR (0.75) | CFTRMAPTNPSR1LMNAKMT2A | |
| SCHEMBL19753053 | 0.87 | CFTR (0.55) | CFTRMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL12741185 | 0.87 | CFTR (0.56) | CFTRHPGDMAOAMAOBHDAC1 | |
| SCHEMBL12741655 | 0.87 | CFTR (0.56) | CFTRMAPTMEN1KMT2ASMN1; SMN2 |
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-3091011-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Inc. (US) | 2016-11-09 | — | — | EP | disclosed |