Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2237967 | 0.85 | CYP3A4 (0.47) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 | |
| SCHEMBL4773623 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 | |
| SCHEMBL2240945 | 0.81 | GBA1 (0.54) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 | |
| SCHEMBL2238098 | 0.81 | PTGDR (0.53) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 | |
| SCHEMBL4775037 | 0.81 | EGFR (0.42) | CYP3A4CYP2C9PTGDRCYP2A6HSD17B10 | |
| SCHEMBL4773528 | 0.80 | PTGDR (0.43) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 | |
| SCHEMBL2239349 | 0.80 | CDK4 (0.47) | CYP3A4CYP2C9PTGDRCYP1A2CLK4 | |
| SCHEMBL2241055 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2C9PTGDRCYP1A2CLK4 | |
| SCHEMBL2241071 | 0.80 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP1A2CLK4USP2 | |
| SCHEMBL2238664 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2C9PTGDRCYP2A6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |