Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | FBP1 | P09467 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6594653 | 1.00 | ALDH1A1 (0.38) | ALDH1A1GPR35CXCR1CXCR2CDK2 | |
| SCHEMBL6079585 | 0.89 | ALDH1A1 (0.39) | ALDH1A1GPR35CXCR1CXCR2CASP6 | |
| SCHEMBL6593355 | 0.85 | GPR35 (0.39) | ALDH1A1GPR35CDK2MEN1KMT2A | |
| SCHEMBL6593362 | 0.85 | GPR35 (0.39) | ALDH1A1GPR35CDK2MEN1KMT2A | |
| SCHEMBL6079406 | 0.84 | GPR35 (0.41) | ALDH1A1GPR35CDK2CASP6MEN1 | |
| SCHEMBL6079592 | 0.81 | SMN1; SMN2 (0.36) | ALDH1A1CDK2MEN1KMT2AGRM5 | |
| SCHEMBL6616134 | 0.80 | MMP2 (0.36) | ALDH1A1GPR35MEN1KMT2AFBP1 | |
| SCHEMBL6594661 | 0.80 | DUSP3 (0.41) | ALDH1A1GPR35CDK2CASP6MEN1 | |
| SCHEMBL6080295 | 0.79 | KDM4A (0.38) | ALDH1A1CXCR2MEN1KMT2AMAPT | |
| SCHEMBL6594345 | 0.78 | ALDH1A1 (0.46) | ALDH1A1GPR35CDK2CASP6MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |