Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 3/20 | 0.63 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
| ▸ | DRD3 | P35462 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | THRB | P10828 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | FNTA | P49354 | 4/20 | 0.51 |
| ▸ | FNTB | P49356 | 4/20 | 0.51 |
| ▸ | PTGFR | P43088 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL341098 | 0.84 | GABBR2 (0.60) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL391659 | 0.84 | GABBR2 (0.79) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL824927 | 0.83 | GABBR2 (0.63) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL2761477 | 0.83 | GABBR2 (0.55) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| Hydrochloric Acid SCHEMBL7076939 | 0.83 | GABBR2 (0.59) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL3420710 | 0.83 | GABBR2 (0.55) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL2230680 | 0.82 | GABBR2 (0.54) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL28014207 | 0.82 | GABBR2 (0.76) | GABBR2GABBR1CYP2C9LMNACYP2D6 | |
| SCHEMBL2001328 | 0.81 | FNTA (0.57) | KMT2AFNTAFNTB | |
| SCHEMBL27844992 | 0.81 | GABBR2 (0.59) | GABBR2GABBR1CYP2C9LMNACYP2D6 |
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-2009094569-A2 | METHOD FOR THE ENZYMATIC KINETIC RESOLUTION OF ACYLOXYALKYL THIOCARBONATES USED FOR THE SYNTHESIS OF ACYLOXYALKYL CARBAMATES | XENOPORT, INC. (US) | 2009-07-30 | — | — | WO | disclosed |