Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.60 |
| ▸ | GBA1 | P04062 | 5/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL3820111 | 0.86 | CFTR (0.64) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL3818773 | 0.86 | CFTR (0.68) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL3824792 | 0.83 | CFTR (0.65) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL5753622 | 0.82 | CFTR (0.61) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL3824104 | 0.79 | CFTR (0.80) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL3824055 | 0.78 | CFTR (0.70) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL3816483 | 0.78 | CFTR (0.70) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL15457219 | 0.77 | CFTR (0.64) | CFTRGBA1HSD11B1PKMALDH1A1 | |
| SCHEMBL3820205 | 0.77 | CFTR (0.73) | CFTRGBA1HSD11B1PKMLMNA | |
| SCHEMBL15457303 | 0.77 | CFTR (0.68) | CFTRGBA1HSD11B1PKMLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642609-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-02-04 | — | — | US | disclosed |
| EP-1646615-B1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2009-08-26 | — | — | EP | disclosed |