Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.54 |
| ▸ | MAOA | P21397 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 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 | |
|---|---|---|---|---|
| SCHEMBL14403601 | 0.92 | CFTR (0.54) | CFTRMAOAMAOBHDAC1NR2E3 | |
| SCHEMBL12741876 | 0.92 | CFTR (0.56) | CFTRMAOAMAOBHDAC1POLB | |
| SCHEMBL12741871 | 0.90 | CFTR (0.54) | CFTRMAOAMAOBHDAC1NR2E3 | |
| SCHEMBL12741525 | 0.89 | CFTR (0.55) | CFTRMAOAMAOBHDAC1NR2E3 | |
| SCHEMBL12741439 | 0.89 | CFTR (0.58) | CFTRMAOAMAOBHDAC1ALDH1A1 | |
| SCHEMBL20194957 | 0.88 | CFTR (0.54) | CFTRMAOAMAOBHDAC1ALDH1A1 | |
| SCHEMBL20195007 | 0.88 | CFTR (0.54) | CFTRMAOAMAOBHDAC1 | |
| SCHEMBL12741332 | 0.87 | CFTR (0.58) | CFTRMAOBHPGDHDAC1POLB | |
| SCHEMBL19753053 | 0.87 | CFTR (0.55) | CFTRMAOAMAOBHPGDHDAC1 | |
| SCHEMBL12741185 | 0.87 | CFTR (0.56) | CFTRMAOAMAOBTHRBHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8912199-B2 | Modulators of ATP-binding cassette transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-12-16 | — | — | US | disclosed |