Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.63 |
| ▸ | PKLR | P30613 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950459 | 0.85 | KMT2A (0.48) | CASP3PKLRGAAVCAM1ALDH1A1 | |
| SCHEMBL6946269 | 0.82 | PKLR (0.44) | CASP3PKLRGAAVCAM1ALDH1A1 | |
| SCHEMBL6949029 | 0.79 | PKLR (0.42) | CASP3PKLRGAAALDH1A1MAOA | |
| SCHEMBL6535335 | 0.78 | CASP3 (1.00) | CASP3GAAALDH1A1MAOAMAOB | |
| SCHEMBL6943633 | 0.78 | ALDH1A1 (0.58) | PKLRGAAALDH1A1MAPTLMNA | |
| SCHEMBL8307129 | 0.77 | PKLR (0.50) | PKLRGAAVCAM1ALDH1A1MAPT | |
| SCHEMBL8307006 | 0.75 | PKLR (0.42) | CASP3PKLRGAAALDH1A1MAOA | |
| SCHEMBL3917930 | 0.71 | SIGMAR1 (0.55) | CASP3ALDH1A1GSTO1MAPTLMNA | |
| SCHEMBL1368050 | 0.71 | CASP3 (0.54) | CASP3GAAPTGDR2VCAM1ALDH1A1 | |
| SCHEMBL30555219 | 0.71 | PKLR (0.55) | PKLRGAAALDH1A1MAPTCYP1A2 |
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 |