Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | GPR39 | O43194 | 3/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | VCP | P55072 | 2/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4773121 | 0.79 | GPR39 (0.46) | CYP3A4CYP2C9CYP2A6SLC2A1GPR39 | |
| SCHEMBL2238098 | 0.76 | PTGDR (0.53) | CYP3A4CYP2C9CYP2A6SLC2A1NPC1 | |
| SCHEMBL2239929 | 0.76 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2A6SLC2A1GPR39 | |
| SCHEMBL4771527 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C9CYP2A6SLC2A1NPC1 | |
| SCHEMBL4775842 | 0.76 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2A6SLC2A1TSHR | |
| SCHEMBL4768766 | 0.76 | CYP2A6 (0.46) | CYP2A6NPC1TP53PKMTSHR | |
| SCHEMBL4769045 | 0.75 | HDAC1 (0.48) | CYP3A4CYP2C9CYP2A6SLC2A1ACP1 | |
| SCHEMBL4775067 | 0.75 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2A6SLC2A1GPR39 | |
| SCHEMBL2238265 | 0.74 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2A6SLC2A1TGFBR1 | |
| SCHEMBL2240945 | 0.74 | GBA1 (0.54) | CYP3A4CYP2C9CYP2A6SLC2A1NPC1 |
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 |