Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493850 | 0.88 | LMNA (0.38) | NT5ELMNACYP3A4KDM4ENR1I2 | |
| SCHEMBL2710931 | 0.82 | NT5E (0.48) | NT5ELMNAKDM4ECYP2C19CYP1A2 | |
| SCHEMBL1258312 | 0.79 | KCNH2 (0.47) | NT5EADORA2AADORA1LMNAKCNH2 | |
| SCHEMBL2711028 | 0.79 | NT5E (0.49) | NT5EADORA2AADORA1LMNACYP3A4 | |
| SCHEMBL3628877 | 0.78 | NT5E (0.44) | NT5EADORA2AADORA1LMNAKCNH2 | |
| SCHEMBL3628880 | 0.78 | NT5E (0.44) | NT5EADORA2AADORA1LMNAKCNH2 | |
| SCHEMBL3631708 | 0.78 | ENPP1 (0.56) | NT5EADORA2AADORA1LMNAKDM4E | |
| SCHEMBL2711191 | 0.78 | ELANE (0.48) | NT5ELMNAKDM4ETP53HTT | |
| SCHEMBL9493205 | 0.76 | NT5E (0.43) | NT5EADORA2AADORA1LMNAKDM4E | |
| SCHEMBL9493460 | 0.76 | NT5E (0.43) | NT5EADORA2AADORA1LMNAKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0113432-B1 | CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | ALKALOIDA VEGYéSZETI GYáR (HU) | 1993-03-17 | — | — | EP | claimed |
| EP-0113432-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | ALKALOIDA VEGYéSZETI GYáR (HU) | 1984-07-18 | — | — | EP | claimed |