Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 8/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042924 | 0.82 | CNR2 (0.58) | CFTRTSHRMEN1KMT2A | |
| SCHEMBL20042801 | 0.82 | CFTR (0.51) | CFTRLMNATSHRMAPK1MEN1 | |
| SCHEMBL20042825 | 0.81 | GBA1 (0.61) | CFTRALDH1A1USP2LMNAMAPT | |
| SCHEMBL20042800 | 0.76 | CNR1 (0.45) | ALDH1A1LMNAMAPTTSHRMEN1 | |
| SCHEMBL20042799 | 0.76 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTTSHRMEN1 | |
| SCHEMBL20608463 | 0.73 | ALDH1A1 (0.55) | CFTRALDH1A1USP2LMNAMAPT | |
| SCHEMBL29710079 | 0.73 | ALDH1A1 (0.55) | CFTRALDH1A1USP2LMNAMAPT | |
| SCHEMBL20042806 | 0.73 | CNR1 (0.47) | ALDH1A1LMNAMAPTTSHRNPSR1 | |
| SCHEMBL20042764 | 0.72 | CNR1 (0.49) | ALDH1A1LMNAMAPTTSHRNPSR1 | |
| SCHEMBL20042709 | 0.72 | ALDH1A1 (0.53) | CFTRALDH1A1USP2LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |