Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 4/20 | 0.53 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PHGDH | O43175 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.37 |
| ▸ | GAK | O14976 | 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 | |
|---|---|---|---|---|
| SCHEMBL10505201 | 0.89 | NT5E (0.45) | NT5ECCNE2CCNA2CCNE1CDK2 | |
| SCHEMBL11831263 | 0.86 | NT5E (0.45) | NT5EKDM4EBACE1EPHX2SCN4A | |
| SCHEMBL31696102 | 0.81 | NT5E (0.59) | NT5EKDM4EADORA2AADORA1DHODH | |
| SCHEMBL15487038 | 0.81 | ESR2 (0.55) | NT5ECCNE2CCNE1CDK2ADORA2A | |
| SCHEMBL11830323 | 0.81 | NT5E (0.59) | NT5EKDM4EADORA2AADORA1DHODH | |
| SCHEMBL15491345 | 0.81 | ADRB2 (0.55) | NT5ECDK2KDM4EADORA2AADORA1 | |
| SCHEMBL2709353 | 0.81 | NT5E (0.68) | NT5ECCNE2CCNA2CCNE1CDK2 | |
| SCHEMBL31327779 | 0.81 | NT5E (0.68) | NT5ECCNE2CCNA2CCNE1CDK2 | |
| SCHEMBL2712104 | 0.79 | KDM4E (0.49) | NT5ECCNE2CCNA2CCNE1CDK2 | |
| SCHEMBL11830914 | 0.79 | NT5E (0.45) | NT5ECCNE2CCNA2CCNE1CDK2 |
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 7 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 | disclosed |
| EP-0103259-B1 | 4-QUINOLINE DERIVATIVES AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-02-26 | — | — | EP | disclosed |
| EP-0049776-B1 | 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY | BASF Aktiengesellschaft (DE) | 1985-07-31 | — | — | EP | disclosed |
| EP-0113432-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | ALKALOIDA VEGYéSZETI GYáR (HU) | 1984-07-18 | — | — | EP | disclosed |
| EP-0103259-A1 | 4-Quinoline derivatives and their preparation | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-03-21 | — | — | EP | disclosed |
| EP-0049776-A2 | 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity | BASF Aktiengesellschaft (DE) | 1982-04-21 | — | — | EP | disclosed |
| US-3953453-A | ANTIMALARIAL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1976-04-27 | — | — | US | disclosed |