Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | LATS1 | O95835 | 2/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | FPR3 | P25089 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL810259 | 1.00 | IKBKB (0.46) | IKBKBCYP17A1CYP3A4TDP1CSNK2A2 | |
| SCHEMBL2672274 | 0.83 | NAMPT (0.55) | CYP3A4KEAP1NFE2L2NR1H4NPSR1 | |
| SCHEMBL20095479 | 0.81 | IKBKB (0.50) | IKBKBCYP3A4KEAP1NFE2L2MAPT | |
| SCHEMBL7098728 | 0.81 | CYP1A2 (0.53) | IKBKBKEAP1NFE2L2LATS1KDM4E | |
| SCHEMBL20095475 | 0.81 | CYP1A2 (0.53) | IKBKBKEAP1NFE2L2LATS1KDM4E | |
| SCHEMBL31203373 | 0.79 | CA1 (0.61) | CYP17A1CYP3A4TDP1CA1CA2 | |
| SCHEMBL6949196 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1 | |
| SCHEMBL7262254 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1 | |
| SCHEMBL504843 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1 | |
| SCHEMBL504842 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4TDP1CSNK2A2CSNK2A1 |
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-0984936-B1 | CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS | LEO PHARMA AS WITH SECONDARY N (DK) | 2003-09-03 | — | — | EP | claimed |