Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3766890 | 0.85 | ACKR3 (0.48) | SIGMAR1ACKR3HRH2HRH1 | |
| SCHEMBL8618331 | 0.71 | GPR119 (0.49) | KDM4E | |
| SCHEMBL249745 | 0.70 | DRD2 (0.36) | DRD2SIGMAR1 | |
| SCHEMBL3781095 | 0.70 | CYP1A2 (0.49) | KDM4EALDH1A1DRD2SIGMAR1HRH2 | |
| SCHEMBL8316805 | 0.67 | CCNB2 (0.48) | KDM4EALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9141640 | 0.66 | SIGMAR1 (0.55) | ALDH1A1DRD2SIGMAR1HTR1A | |
| SCHEMBL1444698 | 0.65 | MPO (0.56) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL5228089 | 0.65 | SMN1; SMN2 (0.53) | KDM4EALDH1A1SIGMAR1ACKR3MEN1 | |
| SCHEMBL7612299 | 0.65 | TACR1 (0.35) | DRD2SIGMAR1 | |
| SCHEMBL688938 | 0.64 | HSD17B10 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1943222-A1 | ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007042325-A1 | ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE | Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) | 2007-04-19 | — | — | WO | disclosed |