Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 7/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 7/20 | 0.40 |
| ▸ | RELA | Q04206 | 7/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18929421 | 0.77 | NFKB1 (0.38) | NFKB1NFKB2RELAATRALDH1A1 | |
| SCHEMBL14138294 | 0.69 | NFKB1 (0.35) | NFKB1NFKB2RELAATRALDH1A1 | |
| SCHEMBL19056136 | 0.68 | NFKB1 (0.39) | NFKB1NFKB2RELAATR | |
| SCHEMBL31258505 | 0.68 | NFKB1 (0.35) | NFKB1NFKB2RELAATRCYP17A1 | |
| SCHEMBL20224875 | 0.67 | MAPK1 (0.39) | NFKB1NFKB2RELA | |
| SCHEMBL28648019 | 0.67 | NFKB1 (0.38) | NFKB1NFKB2RELACYP17A1 | |
| SCHEMBL29893827 | 0.67 | NFKB1 (0.40) | NFKB1NFKB2RELAATRGAA | |
| SCHEMBL19512667 | 0.64 | NFKB1 (0.40) | NFKB1NFKB2RELAATRALDH1A1 | |
| SCHEMBL11076557 | 0.63 | DNTT (0.37) | ALDH1A1 | |
| SCHEMBL13055402 | 0.63 | CYP17A1 (0.59) | ALDH1A1GAACYP17A1PTGDR2 |
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-1763351-B9 | 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE HOLDINGS CORP (US) | 2017-05-31 | — | — | EP | disclosed |