Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 5/20 | 0.75 |
| ▸ | GABBR1 | Q9UBS5 | 5/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | DRD3 | P35462 | 3/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9105247 | 0.90 | ALDH1A1 (0.63) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| Phenibut SCHEMBL351501 | 0.86 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| Phenibut SCHEMBL9545047 | 0.86 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| Phenibut SCHEMBL340838 | 0.86 | GABBR2 (1.00) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8187229 | 0.84 | CYP2D6 (0.56) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL1059563 | 0.84 | CYP2D6 (0.56) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL27814502 | 0.84 | GABBR2 (0.69) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| SCHEMBL8192677 | 0.84 | CYP2D6 (0.56) | GABBR2GABBR1CYP1A2CYP2D6PKM | |
| Phenibut SCHEMBL22831453 | 0.84 | GABBR2 (0.96) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 | |
| Phenibut SCHEMBL3053795 | 0.84 | GABBR2 (0.96) | GABBR2GABBR1CYP1A2CYP2D6CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102731499-A | Lactam compounds and their use as pharmaceuticals | INCYTE CORP | 2012-10-17 | — | — | CN | claimed |
| CN-101098856-A | Lactam compounds and their use as pharmaceuticals | INCYTE SAN DIEGO INC (US) | 2008-01-02 | — | — | CN | claimed |
| CN-102731499-A | Lactam compounds and their use as pharmaceuticals | INCYTE CORP | 2012-10-17 | — | — | CN | disclosed |
| CN-102264731-A | 1, 2, 4 -oxadiazole derivatives and their therapeutic use | — | 2011-11-30 | — | — | CN | disclosed |
| CN-101098856-A | Lactam compounds and their use as pharmaceuticals | INCYTE SAN DIEGO INC (US) | 2008-01-02 | — | — | CN | disclosed |