Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PREP | P48147 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HK1 | P19367 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8916921 | 0.78 | PREP (0.36) | PREPCYP11B1CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL20759409 | 0.78 | PREP (0.36) | PREPCYP11B1CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL23371355 | 0.77 | PREP (0.36) | PREPCYP11B1CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL3374525 | 0.77 | PREP (0.36) | PREPCYP11B1CYP11B2ALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL23354539 | 0.75 | PREP (0.35) | PREPCYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL7501432 | 0.74 | CYP11B1 (0.56) | CYP11B1CYP11B2GAAFNTAFNTB | |
| SCHEMBL6010185 | 0.73 | IDO1 (0.41) | PREPCYP11B1CYP11B2ALDH1A1KDM4E | |
| SCHEMBL15512053 | 0.72 | PREP (0.36) | PREPCYP11B1CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL12234460 | 0.71 | — | — | |
| SCHEMBL890196 | 0.71 | — | — |
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-0372470-A2 | Novel alpha-cyano-beta-oxopropionamides | CIBA-GEIGY AG (CH) | 1990-06-13 | — | — | EP | disclosed |