Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10504531 | 0.90 | L3MBTL1 (0.43) | ALDH1A1L3MBTL1PARP1ESR1CYP2D6 | |
| SCHEMBL10504620 | 0.90 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1PARP1ESR1CYP2D6 | |
| SCHEMBL10506369 | 0.90 | CYP3A4 (0.38) | ALDH1A1L3MBTL1PARP1ESR1CYP2D6 | |
| SCHEMBL1258312 | 0.90 | KCNH2 (0.47) | ALDH1A1L3MBTL1PARP1ESR1CYP2D6 | |
| SCHEMBL9492503 | 0.90 | CYP3A4 (0.40) | ALDH1A1L3MBTL1PARP1CYP2D6CYP3A4 | |
| SCHEMBL9493460 | 0.87 | NT5E (0.43) | ALDH1A1L3MBTL1ESR1CYP2D6KCNH2 | |
| SCHEMBL9493152 | 0.84 | NR4A2 (0.46) | ALDH1A1L3MBTL1PARP1CYP3A4KDM4E | |
| SCHEMBL6918746 | 0.84 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1PARP1ESR1CYP2D6 | |
| SCHEMBL18234113 | 0.83 | ESR1 (0.43) | ALDH1A1L3MBTL1PARP1ESR1HSD11B1 | |
| SCHEMBL9492598 | 0.82 | ELANE (0.44) | L3MBTL1PARP1CYP3A4KDM4ETP53 |
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 9 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 |
| US-4599345-A | BACTERICIDES, FUNGICIDES ANTIINFLAMMATORY | ALKALOIDE VEGYESZETI GYAR (HU) | 1986-07-08 | — | — | US | claimed |
| EP-0113432-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | ALKALOIDA VEGYéSZETI GYáR (HU) | 1984-07-18 | — | — | EP | claimed |
| EP-0113432-B1 | CHLOROMETHYL QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | ALKALOIDA VEGYéSZETI GYáR (HU) | 1993-03-17 | — | — | EP | disclosed |
| EP-0111329-B1 | FLUOROMETHYL QUINOLINE DERIVATIVES AND THEIR PREPARATION | ALKALOIDA VEGYESZETI GYAR (HU) | 1989-03-15 | — | — | EP | disclosed |
| US-4659834-A | Process for the preparation of fluoromethyl-quinoline derivatives | ALKALOIDA VEGYESZETI GYAR (HU) | 1987-04-21 | — | — | US | disclosed |
| US-4599345-A | BACTERICIDES, FUNGICIDES ANTIINFLAMMATORY | ALKALOIDE VEGYESZETI GYAR (HU) | 1986-07-08 | — | — | US | disclosed |
| EP-0113432-A1 | Chloromethyl quinoline derivatives, process for their preparation and their use | ALKALOIDA VEGYéSZETI GYáR (HU) | 1984-07-18 | — | — | EP | disclosed |
| EP-0111329-A1 | Fluoromethyl quinoline derivatives and their preparation | ALKALOIDA VEGYESZETI GYAR (HU) | 1984-06-20 | — | — | EP | disclosed |