Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | HPGD | P15428 | 7/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 5/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 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 | |
|---|---|---|---|---|
| SCHEMBL9750395 | 0.89 | KDM4E (0.36) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9749919 | 0.86 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL10424662 | 0.86 | KDM4E (0.45) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9749859 | 0.86 | KDM4E (0.45) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL10426035 | 0.85 | KDM4E (0.61) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9749838 | 0.85 | TOP2A (0.53) | KDM4EALDH1A1HPGDHSD17B10LMNA | |
| SCHEMBL9749882 | 0.85 | KDM4E (0.51) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL10667799 | 0.83 | KDM4E (0.54) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL9750401 | 0.83 | KDM4E (0.53) | KDM4EALDH1A1HPGDHSD17B10PMP22 | |
| SCHEMBL12638001 | 0.78 | KDM4E (0.62) | KDM4EALDH1A1HPGDHSD17B10PMP22 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0216345-B1 | QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1992-02-19 | — | — | EP | disclosed |
| US-4977265-A | WITH BACTERICIDAL ACTIVITY | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |
| US-4946847-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1990-08-07 | — | — | US | disclosed |
| US-4806541-A | ANTIBACTERIAL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1989-02-21 | — | — | US | disclosed |
| EP-0216345-A2 | Quinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-04-01 | — | — | EP | disclosed |