Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.63 |
| ▸ | ACHE | P22303 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 2/20 | 0.47 |
| ▸ | LDHB | P07195 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | G6PD | P11413 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8830347 | 0.86 | CYP3A4 (0.57) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL28669355 | 0.86 | CYP3A4 (0.57) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL8106142 | 0.85 | CYP3A4 (0.54) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL9007037 | 0.84 | CYP3A4 (0.55) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL27718325 | 0.84 | CYP3A4 (0.65) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5037307 | 0.83 | CYP3A4 (0.52) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5042476 | 0.83 | CYP3A4 (0.52) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL2977807 | 0.82 | CYP3A4 (0.57) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL22534121 | 0.82 | CYP3A4 (0.57) | CYP3A4ACHEMAPTMAPK1ALDH1A1 | |
| SCHEMBL10150815 | 0.81 | CYP3A4 (0.52) | CYP3A4ACHEMAPTMAPK1ALDH1A1 |
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-2019185586-A1 | LIGANDS FOR ENHANCED IMAGING AND DRUG DELIVERY TO NEUROBLASTOMA CELLS | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 2019-10-03 | — | — | WO | disclosed |