Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKLR | P30613 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 4/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950459 | 0.80 | KMT2A (0.48) | PKLRGAAALDH1A1CASP3MAOA | |
| SCHEMBL8312045 | 0.79 | CASP3 (0.59) | CASP3MAOAMAOB | |
| SCHEMBL8307133 | 0.75 | CASP3 (0.63) | PKLRGAAALDH1A1CASP3MAOA | |
| SCHEMBL6946269 | 0.74 | PKLR (0.44) | PKLRGAAALDH1A1CASP3MAOA | |
| SCHEMBL8307129 | 0.74 | PKLR (0.50) | PKLRGAAALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL6949029 | 0.72 | PKLR (0.42) | PKLRGAAALDH1A1CASP3MAOA | |
| SCHEMBL6954313 | 0.70 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6949092 | 0.69 | HTR2C (0.54) | PKLRHTR2CHTR2BALDH1A1SMN1; SMN2 | |
| SCHEMBL6954051 | 0.68 | PKLR (0.55) | PKLRGAAALDH1A1TDP1KDM4E | |
| SCHEMBL30555219 | 0.68 | PKLR (0.55) | PKLRGAAALDH1A1TDP1KDM4E |
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 |