Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | NT5E | P21589 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493489 | 0.90 | ALDH1A1 (0.43) | CYP3A4TSHRL3MBTL1CYP2C19PTGES | |
| SCHEMBL9492503 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRL3MBTL1CCR1CCR8 | |
| SCHEMBL9493152 | 0.84 | NR4A2 (0.46) | CYP3A4TSHRL3MBTL1CCR1CCR8 | |
| SCHEMBL9493460 | 0.84 | NT5E (0.43) | CYP3A4TSHRL3MBTL1CCR1CCR8 | |
| SCHEMBL10504620 | 0.84 | ALDH1A1 (0.43) | CYP3A4TSHRL3MBTL1NT5ECYP2C19 | |
| SCHEMBL11099657 | 0.81 | CRHR1 (0.49) | CYP3A4TSHRL3MBTL1CCR1CCR8 | |
| SCHEMBL10504531 | 0.81 | L3MBTL1 (0.43) | CYP3A4TSHRL3MBTL1NT5ECYP2C19 | |
| SCHEMBL1258312 | 0.80 | KCNH2 (0.47) | CYP3A4TSHRL3MBTL1NT5ECYP2C19 | |
| SCHEMBL9492598 | 0.79 | ELANE (0.44) | CYP3A4TSHRL3MBTL1NR4A2MAPT | |
| SCHEMBL21144535 | 0.79 | MAPT (0.39) | CYP3A4TSHRL3MBTL1CCR1CCR8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0111329-A1 | Fluoromethyl quinoline derivatives and their preparation | ALKALOIDA VEGYESZETI GYAR (HU) | 1984-06-20 | — | — | EP | disclosed |