Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 7/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | SNCA | P37840 | 2/20 | 0.36 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | RAF1 | P04049 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9255783 | 1.00 | NPC1 (0.43) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9286651 | 0.82 | CYP1A2 (0.41) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9285312 | 0.79 | CYP1A2 (0.38) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9256886 | 0.79 | CYP1A2 (0.49) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL9256879 | 0.77 | MAPT (0.38) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL31404120 | 0.72 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL2268820 | 0.72 | PDK2 (0.50) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL30775696 | 0.70 | PDK2 (0.48) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL30088112 | 0.65 | CYP1A2 (0.51) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1696242 | 0.65 | NPC1 (0.68) | NPC1CYP1A2SMN1; SMN2MAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995018127-A1 | AZA-4-IMINOQUINOLINES, METHODS OF PREPARING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-07-06 | — | — | WO | disclosed |