Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.47 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CDC25B | P30305 | 7/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CDC25A | P30304 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL559388 | 1.00 | GABBR2 (0.47) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL560248 | 0.88 | GABBR2 (0.54) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL560076 | 0.87 | GABBR2 (0.50) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| Hydrochloric Acid SCHEMBL559042 | 0.87 | GABBR2 (0.52) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL560445 | 0.85 | GABBR2 (0.52) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| Hydrochloric Acid SCHEMBL559973 | 0.84 | GABBR2 (0.51) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| Hydrochloric Acid SCHEMBL560579 | 0.82 | MRGPRX4 (0.53) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL559950 | 0.81 | GABBR2 (0.50) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL638148 | 0.80 | HDAC1 (0.53) | GABBR2GABBR1LMNACYP2C9MEN1 | |
| SCHEMBL559720 | 0.80 | HDAC1 (0.53) | GABBR2GABBR1LMNACYP2C9MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2419401-A2 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS | XenoPort, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120370-A2 | GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS | XENOPORT, INC. (US) | 2010-10-21 | — | — | WO | disclosed |