Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | TRPC3 | Q13507 | 3/20 | 0.43 |
| ▸ | TRPC7 | Q9HCX4 | 3/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL7463352 | 0.97 | GRIN2B (0.46) | GRIN2BCYP2D6CYP2C9TRPC3TRPC7 | |
| SCHEMBL7469105 | 0.91 | TRPC3 (0.44) | GRIN2BCYP2D6CYP2C9TRPC3TRPC7 | |
| SCHEMBL7468591 | 0.84 | TRPC3 (0.42) | GRIN2BCYP2D6CYP2C9TRPC3TRPC7 | |
| SCHEMBL7670671 | 0.84 | TRPC3 (0.43) | GRIN2BCYP2D6CYP2C9TRPC3TRPC7 | |
| SCHEMBL7529385 | 0.83 | MAPK13 (0.48) | GRIN2BTRPC3TRPC7TRPV4F2R | |
| SCHEMBL7556151 | 0.82 | MAPK13 (0.47) | TRPC3TRPC7TRPV4F2RCETP | |
| SCHEMBL6950656 | 0.81 | CYP2D6 (0.45) | GRIN2BCYP2D6CYP2C9 | |
| SCHEMBL7678065 | 0.81 | MAPK14 (0.62) | — | |
| SCHEMBL4029113 | 0.78 | TRPV4 (0.43) | GRIN2BCYP2D6CYP2C9TRPC3TRPC7 | |
| SCHEMBL7672894 | 0.76 | MAPK14 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6350744-B1 | PYRMIDINE OR PYRIDINE DERIVATIVES; ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS; CACHEXIA TREATMENT; INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS | MERCK & CO., INC. | 2002-02-26 | — | — | US | disclosed |