Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 3/20 | 0.51 |
| ▸ | USP2 | O75604 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 4/20 | 0.51 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8312633 | 0.92 | ALDH1A1 (0.69) | ALDH1A1MAPK1TP53GAALMNA | |
| SCHEMBL8312507 | 0.83 | LMNA (0.66) | ALDH1A1MAPK1TP53GAALMNA | |
| SCHEMBL8304644 | 0.82 | LMNA (0.66) | ALDH1A1MAPK1TP53GAALMNA | |
| SCHEMBL8306064 | 0.82 | MAPT (0.66) | ALDH1A1MAPK1TP53GAALMNA | |
| SCHEMBL8311835 | 0.81 | TP53 (0.76) | ALDH1A1TP53LMNASMN1; SMN2HTT | |
| SCHEMBL8311212 | 0.81 | TP53 (0.76) | ALDH1A1TP53LMNASMN1; SMN2HTT | |
| SCHEMBL8308783 | 0.80 | TP53 (0.75) | ALDH1A1TP53LMNASMN1; SMN2HTT | |
| SCHEMBL8307694 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MAPK1TP53SMN1; SMN2USP2 | |
| SCHEMBL8312636 | 0.76 | TP53 (0.77) | ALDH1A1TP53LMNAHTTMAPT | |
| SCHEMBL8312476 | 0.76 | TP53 (0.79) | ALDH1A1TP53LMNAHTTMAPT |
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 |