Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 5/20 | 0.46 |
| ▸ | VCP | P55072 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | GBA1 | P04062 | 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 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4768751 | 0.79 | IRAK4 (0.46) | GPR39VCPCYP3A4CYP2C9CYP2A6 | |
| SCHEMBL4771527 | 0.74 | CYP3A4 (0.55) | HIF1ACYP3A4CYP2C9CYP2A6SLC2A1 | |
| SCHEMBL2239929 | 0.74 | CYP3A4 (0.65) | GPR39VCPHIF1ACYP3A4CYP2C9 | |
| SCHEMBL4775842 | 0.74 | CYP3A4 (0.60) | HIF1ACYP3A4CYP2C9CYP2A6SLC2A1 | |
| SCHEMBL4878463 | 0.73 | SYK (0.47) | GPR39CYP2A6GBA1NPC1TP53 | |
| SCHEMBL4769045 | 0.73 | HDAC1 (0.48) | HIF1ACYP3A4CYP2C9CYP2A6SLC2A1 | |
| SCHEMBL4773261 | 0.73 | SYK (0.47) | GPR39CYP2A6GBA1NPC1TP53 | |
| SCHEMBL4775067 | 0.73 | CYP3A4 (0.57) | GPR39VCPHIF1ACYP3A4CYP2C9 | |
| SCHEMBL2238098 | 0.72 | PTGDR (0.53) | HIF1ACYP3A4CYP2C9CYP2A6GBA1 | |
| SCHEMBL2240945 | 0.72 | GBA1 (0.54) | HIF1ACYP3A4CYP2C9CYP2A6GBA1 |
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 |