Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5374431 | 1.00 | TSHR (0.59) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL6229562 | 1.00 | TSHR (0.59) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL5388738 | 1.00 | TSHR (0.59) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL5378640 | 0.90 | TP53 (0.45) | TSHRTP53CYP2D6RECQLLMNA | |
| Alcohol SCHEMBL18886336 | 0.81 | TSHR (0.79) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL2596645 | 0.80 | TSHR (0.58) | TSHRTP53CYP2D6RECQLLMNA | |
| SCHEMBL5867194 | 0.80 | TSHR (0.58) | TSHRTP53CYP2D6RECQLLMNA | |
| Water SCHEMBL365251 | 0.79 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA | |
| Water SCHEMBL312080 | 0.79 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA | |
| Water SCHEMBL2859440 | 0.79 | TSHR (0.96) | TSHRTP53CYP2D6RECQLLMNA |
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-1413565-A2 | Method for optical resolution of 3-aminopentanenitrile | Bayer Chemicals AG (DE) | 2004-04-28 | — | — | EP | disclosed |