Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 10/20 | 0.34 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9521708 | 1.00 | NFKB1 (0.44) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL9521715 | 1.00 | NFKB1 (0.44) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL9522979 | 0.83 | NFKB1 (0.58) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL9522974 | 0.83 | NFKB1 (0.58) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL10629668 | 0.83 | CYP19A1 (0.45) | CYP19A1 | |
| SCHEMBL10629677 | 0.83 | CYP19A1 (0.45) | CYP19A1 | |
| SCHEMBL9521538 | 0.80 | NFKB1 (0.36) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL11699293 | 0.78 | CYP19A1 (0.34) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL11699278 | 0.78 | CYP19A1 (0.34) | NFKB1KCNH2NFKB2RELAFNTA | |
| SCHEMBL11699279 | 0.78 | CYP19A1 (0.34) | NFKB1KCNH2NFKB2RELAFNTA |
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-0558677-A1 | BIOLOGICALLY ACTIVE AMINES | Astra Pharmaceuticals Limited (GB) | 1993-09-08 | — | — | EP | disclosed |