Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.40 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18570044 | 0.95 | CA12 (0.46) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL18569788 | 0.82 | CA12 (0.46) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL20506839 | 0.82 | CA12 (0.46) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL18544318 | 0.81 | ALDH1A1 (0.50) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL24266997 | 0.81 | L3MBTL1 (0.42) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL18553857 | 0.81 | CA12 (0.41) | CA12CA1CA2CA9CYP1A1 | |
| SCHEMBL18544345 | 0.80 | ALDH1A1 (0.47) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL4183391 | 0.80 | ADRB2 (0.42) | CYP2D6CYP2C19ADRB2HTR1AMEN1 | |
| SCHEMBL18544363 | 0.80 | ALDH1A1 (0.53) | CA12CA1CA2CA9PDK2 | |
| SCHEMBL9097669 | 0.79 | FDPS (0.47) | MEN1KMT2AKDM4EPOLBALDH1A1 |
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-3135110-A1 | 1,7-DIARYL-1,6-HEPTADIEN-3,5-DION DERIVATIVES, METHODS OF MAKING AND USING THE SAME | Universitätsklinikum Regensburg (DE) | 2017-03-01 | — | — | EP | disclosed |