Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 12/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 11/20 | 0.59 |
| ▸ | CLK4 | Q9HAZ1 | 10/20 | 0.59 |
| ▸ | USP2 | O75604 | 9/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2240377 | 0.83 | GBA1 (0.47) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL26743855 | 0.77 | EIF2AK2 (0.45) | MEN1KMT2APTGS2HTR1AHTR2A | |
| SCHEMBL26743868 | 0.75 | GBA1 (0.74) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21249043 | 0.74 | GBA1 (0.43) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21248401 | 0.74 | GBA1 (0.45) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL34463054 | 0.73 | CYP1A2 (0.60) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL28043713 | 0.73 | HTR1A (0.53) | ALDH1A1MEN1KMT2AMAPK1MAPT | |
| SCHEMBL30278163 | 0.73 | KMT2A (0.58) | USP2ALOX15ALDH1A1MEN1KMT2A | |
| SCHEMBL4775877 | 0.73 | CYP3A4 (0.56) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL4771731 | 0.73 | GBA1 (0.54) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 |
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-7989458-B2 | Pyrimidine derivatives as alk-5 inhibitors | NOVARTIS AG (CH) | 2011-08-02 | — | — | US | claimed |