Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 12/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 8/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | CASP1 | P29466 | 5/20 | 0.52 |
| ▸ | CASP7 | P55210 | 5/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7711748 | 0.86 | ALDH1A1 (0.54) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL7708590 | 0.80 | MAPT (0.47) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL10414485 | 0.79 | CYP11B2 (0.58) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL7708464 | 0.76 | KDM4E (0.54) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL7708477 | 0.74 | MGMT (0.48) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL7711799 | 0.74 | OGA (0.47) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL11862853 | 0.74 | HTT (0.56) | ALDH1A1HSD17B10ACHETSHRMEN1 | |
| SCHEMBL18489942 | 0.71 | CYP11B2 (0.62) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL7708555 | 0.71 | GAA (0.50) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 | |
| SCHEMBL30677540 | 0.71 | HTT (0.46) | CYP1A2ALDH1A1HSD17B10CYP2C19ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-6440965-B1 | Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system | KRENITSKY PHARMACEUTICALS, INC. | 2002-08-27 | — | — | US | disclosed |