Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11237106 | 0.97 | PTGIR (0.46) | PTGIRTSHRACHEPDE4BPTGDR2 | |
| SCHEMBL11219345 | 0.92 | PTGIR (0.44) | PTGIRTSHRACHEPDK1BACE1 | |
| SCHEMBL11317245 | 0.89 | PTGIR (0.42) | PTGIRTSHRACHEPDK1BACE1 | |
| SCHEMBL11314317 | 0.86 | PTGIR (0.52) | PTGIRTSHRACHEPDE4BPDK1 | |
| Clanobutin SCHEMBL667903 | 0.86 | PTGIR (0.56) | PTGIRTSHRACHEPDE4BLMNA | |
| Clanobutin SCHEMBL5055263 | 0.86 | PTGIR (0.56) | PTGIRTSHRACHEPDE4BLMNA | |
| Clanobutin SCHEMBL3850118 | 0.85 | PTGIR (0.55) | PTGIRTSHRACHEPDE4BPDK1 | |
| SCHEMBL11311657 | 0.83 | PTGIR (0.51) | PTGIRTSHRACHEPDE4BPDK1 | |
| SCHEMBL11946690 | 0.83 | PTGIR (0.55) | PTGIRTSHRACHEPDE4BPDK1 | |
| SCHEMBL11225096 | 0.83 | HDAC1 (0.41) | TSHRACHEPDE4BALDH1A1LMNA |
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-4250183-A | GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-02-10 | — | — | US | disclosed |