Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL44672 | 0.87 | GABRA1 (0.48) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL13256543 | 0.82 | GABRA1 (0.42) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL3460333 | 0.80 | ALDH1A1 (0.52) | CYP3A4ALOX15ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL30681592 | 0.80 | ALDH1A1 (0.52) | CYP3A4ALOX15ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL2215565 | 0.79 | ALDH1A1 (0.41) | ADRA2BCYP3A4ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL23020587 | 0.79 | CYP3A4 (0.44) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL3739900 | 0.79 | GABRA1 (0.50) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL11145612 | 0.79 | GABRA1 (0.42) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL7263878 | 0.79 | ALDH1A1 (0.45) | ADRA2AADRA2BADRA2CGABRA1GABRB2 | |
| SCHEMBL10071057 | 0.77 | CYP3A4 (0.43) | ADRA2AADRA2BADRA2CGABRA1GABRB2 |
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-2393794-B1 | DESIGN, SYNTHESIS AND EVALUATION OF PROCASPASE ACTIVATING COMPOUNDS AS PERSONALIZED ANTI-CANCER DRUGS | UNIV ILLINOIS (US) | 2017-03-22 | — | — | EP | disclosed |