Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 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 | |
|---|---|---|---|---|
| SCHEMBL9484972 | 1.00 | BRD4 (0.34) | BRD4MMP2ANPEPSLC6A3SLC6A4 | |
| SCHEMBL9484967 | 1.00 | BRD4 (0.34) | BRD4MMP2ANPEPSLC6A3SLC6A4 | |
| SCHEMBL9729630 | 0.75 | ALDH1A1 (0.37) | BRD4SLC6A3SLC6A4CYP2C19ALDH1A1 | |
| SCHEMBL9729624 | 0.75 | ALDH1A1 (0.37) | BRD4SLC6A3SLC6A4CYP2C19ALDH1A1 | |
| SCHEMBL9638058 | 0.73 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL24035543 | 0.72 | CHRNB2 (0.57) | BRD4MMP2ANPEPALDH1A1KMT2A | |
| SCHEMBL17850116 | 0.72 | CYP2C19 (0.38) | SLC6A3SLC6A4CYP2C19MEN1ALDH1A1 | |
| SCHEMBL10530666 | 0.71 | — | — | |
| SCHEMBL16512765 | 0.70 | ALDH1A1 (0.34) | BRD4ALDH1A1CYP1A2 | |
| SCHEMBL11268014 | 0.70 | ALDH1A1 (0.44) | BRD4MMP2ANPEPCYP2C19ALDH1A1 |
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-5102793-A | STEREOSPECIFIC KETO REDUCTION OF BICYCLOOCTANDIONE-CARBOXYLIC ACID ESTERS BY MICROORGANISMS | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-04-07 | — | — | US | disclosed |