Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 5/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 5/20 | 0.39 |
| ▸ | RELA | Q04206 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5722344 | 1.00 | NFKB1 (0.39) | NFKB1NFKB2RELACYP1A2CYP2C9 | |
| SCHEMBL5722300 | 0.86 | NFKB1 (0.32) | NFKB1NFKB2RELACYP1A2CYP2C9 | |
| SCHEMBL1988919 | 0.75 | NFKB1 (0.54) | NFKB1NFKB2RELAKDM1AGAA | |
| SCHEMBL5722362 | 0.72 | PKM (0.39) | NFKB1NFKB2RELAHTTKDM1A | |
| SCHEMBL5722372 | 0.72 | PKM (0.39) | NFKB1NFKB2RELAHTTKDM1A | |
| SCHEMBL5722381 | 0.72 | PKM (0.39) | NFKB1NFKB2RELAHTTKDM1A | |
| SCHEMBL16976712 | 0.70 | NFKB1 (0.50) | NFKB1NFKB2RELAKDM1AGAA | |
| SCHEMBL22475369 | 0.69 | NFKB1 (0.49) | NFKB1NFKB2RELAKDM1AGAA | |
| SCHEMBL5722340 | 0.69 | NFKB1 (0.37) | NFKB1NFKB2RELACYP1A2CYP2C9 | |
| SCHEMBL21611459 | 0.68 | ALDH1A1 (0.42) | NFKB1NFKB2RELAKDM1AGAA |
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-6410594-B1 | VIRICIDES | BIOCRYST PHARMACEUTICALS, INC. | 2002-06-25 | — | — | US | disclosed |