Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 4/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 3/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2238435 | 0.83 | CYP3A4 (0.44) | CYP3A4CYP2C9PTGDRCYP2A6ALDH1A1 | |
| SCHEMBL2237967 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL2240945 | 0.81 | GBA1 (0.54) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL2238098 | 0.81 | PTGDR (0.53) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL4774817 | 0.80 | CYP3A4 (0.46) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL2239979 | 0.80 | SPR (0.42) | CYP3A4CYP2C9PTGDRALDH1A1CYP1A2 | |
| SCHEMBL4773623 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL4769194 | 0.80 | PTGDR (0.46) | CYP3A4CYP2C9PTGDRCYP2A6PIM1 | |
| SCHEMBL2237320 | 0.79 | HIF1A (0.47) | CYP3A4CYP2C9PTGDRCYP2A6SLC2A1 | |
| SCHEMBL4768768 | 0.78 | PTGDR (0.53) | CYP3A4CYP2C9PTGDRCYP2A6SMN1; SMN2 |
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 |