Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.49 |
| ▸ | KIF11 | P52732 | 1/20 | 0.48 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7668687 | 0.98 | S1PR1 (0.48) | S1PR1S1PR3KIF11SCN9AHSD11B1 | |
| SCHEMBL22304414 | 0.84 | AR (0.58) | SCN9AHSD11B1ARALDH1A1CYP1A2 | |
| SCHEMBL163729 | 0.82 | HSD11B1 (0.55) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| SCHEMBL24297565 | 0.82 | AR (0.56) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| SCHEMBL27785597 | 0.81 | PDK2 (0.41) | S1PR1S1PR3KIF11HSD11B1KMT2A | |
| Water SCHEMBL7091891 | 0.80 | AR (0.55) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL28126322 | 0.80 | HSD11B1 (0.53) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| Water SCHEMBL27916635 | 0.80 | AR (0.55) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| Ethyne SCHEMBL27849625 | 0.80 | HSD11B1 (0.53) | KIF11SCN9AHSD11B1ARALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27686805 | 0.80 | HSD11B1 (0.53) | KIF11SCN9AHSD11B1ARALDH1A1 |
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-0229381-B1 | METHIONINE-SUBSTITUTED 1,4-DIHYDROPYRIDINES, PROCESS FOR THE PREPARATION AND THEIR USE | BAYER AG (DE) | 1990-05-30 | — | — | EP | disclosed |