Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT5B | Q4FZB7 | 2/20 | 0.70 |
| ▸ | KMT5C | Q86Y97 | 2/20 | 0.70 |
| ▸ | NSD2 | O96028 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | FERMT2 | Q96AC1 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CCR1 | P32246 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30817065 | 1.00 | KMT5B (0.70) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL30817039 | 1.00 | KMT5B (0.70) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL30817045 | 1.00 | KMT5B (0.70) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL7826415 | 1.00 | KMT5B (0.70) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL9271568 | 0.92 | KMT5B (0.81) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL9540195 | 0.92 | KMT5B (0.81) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL1613404 | 0.92 | KMT5B (0.81) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL9267916 | 0.89 | KMT5B (0.76) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL4810793 | 0.86 | KMT5B (0.71) | KMT5BKMT5CNSD2CYP2D6CYP2C19 | |
| SCHEMBL7205744 | 0.83 | KMT5B (0.67) | KMT5BKMT5CNSD2CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876346-B1 | ANTIMALARIAL QUINOLIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-07-25 | — | — | EP | disclosed |
| US-5948791-A | Quinoline derivatives for treating malaria | HOFFMANN-LA ROCHE INC. (US) | 1999-09-07 | — | — | US | disclosed |
| EP-0876346-A1 | ANTIMALARIAL QUINOLIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997018193-A1 | ANTIMALARIAL QUINOLIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-05-22 | — | — | WO | disclosed |