Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | NPY1R | P25929 | 1/20 | 0.55 |
| ▸ | NPY2R | P49146 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8311329 | 0.99 | BACE1 (0.62) | BACE1ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL8312231 | 0.99 | BACE1 (0.62) | BACE1ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL8304042 | 0.86 | MAPT (0.62) | BACE1ALDH1A1MAPTLMNASMN1; SMN2 | |
| SCHEMBL8305881 | 0.84 | GAA (0.67) | BACE1ALDH1A1MAPTLMNATP53 | |
| SCHEMBL8307575 | 0.84 | BACE1 (0.65) | BACE1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL8312211 | 0.83 | MAPT (0.75) | BACE1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL8312498 | 0.83 | MAPT (0.75) | BACE1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL8311209 | 0.83 | BACE1 (0.66) | BACE1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL8312029 | 0.83 | BACE1 (0.66) | BACE1ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL8307630 | 0.82 | BACE1 (0.76) | BACE1ALDH1A1MAPTLMNASMN1; SMN2 |
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-2004078731-A1 | QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) | 2004-09-16 | — | — | WO | disclosed |