Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.46 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14720215 | 0.81 | GRIN2B (0.44) | CYP3A4CYP2D6CYP2C9GRIN2BALDH1A1 | |
| SCHEMBL14720757 | 0.72 | CHRM3 (0.44) | CYP3A4CYP2D6CYP2C9TSHRLMNA | |
| SCHEMBL13493771 | 0.69 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL14720234 | 0.68 | GRIN2B (0.64) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL6778508 | 0.68 | GBA1 (0.51) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL5870688 | 0.66 | ACKR3 (0.54) | CYP3A4CYP2D6CYP2C9GRIN2BALDH1A1 | |
| SCHEMBL18228060 | 0.66 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL12531359 | 0.66 | KDM1A (0.50) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL4037864 | 0.66 | KCNH3 (0.56) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL12622711 | 0.64 | CA12 (0.50) | RAB9ANPC1NOTUMPKMPOLB |
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-2013028445-A1 | FATTY ACID SYNTHASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-02-28 | — | — | WO | disclosed |