Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.35 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25263465 | 0.84 | PRMT5 (0.40) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL3763508 | 0.83 | CYP2D6 (0.37) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL3645991 | 0.81 | CYP2D6 (0.38) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL283511 | 0.81 | SLC12A2 (0.47) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL19285120 | 0.81 | SLC12A2 (0.47) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL19285370 | 0.81 | SLC12A2 (0.47) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL26906264 | 0.81 | KMT2A (0.41) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL14743331 | 0.77 | CYP2D6 (0.41) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL14743332 | 0.77 | CYP2D6 (0.41) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 | |
| SCHEMBL439062 | 0.77 | PRMT5 (0.54) | ALDH1A1CYP2D6CYP3A4TSHRCYP2C19 |
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-2009016498-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC. (US) | 2009-02-05 | — | — | WO | disclosed |