Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17979461 | 1.00 | JUN (0.38) | JUNNFKB1NFKB2RELASMN1; SMN2 | |
| SCHEMBL29411229 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL17979121 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL29411273 | 0.82 | TRPA1 (0.43) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL17979258 | 0.82 | TRPA1 (0.43) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL17979243 | 0.82 | MAPT (0.35) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL16634979 | 0.80 | KMT2A (0.42) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL18068166 | 0.80 | MAPT (0.35) | SMN1; SMN2MAPTTRPA1KMT2APKM | |
| SCHEMBL17979098 | 0.76 | TRPA1 (0.38) | TRPA1PTGES | |
| SCHEMBL18018311 | 0.76 | TRPA1 (0.36) | TRPA1 |
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-3487853-B1 | BICYCLIC PROLINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-06-08 | — | — | EP | disclosed |