Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.36 |
| ▸ | PDE4A | P27815 | 7/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9315793 | 0.84 | MTNR1A (0.40) | MTNR1AALDH1A1CYP1A2CYP2C19SIRT2 | |
| SCHEMBL9200230 | 0.84 | MTNR1A (0.40) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL9202054 | 0.84 | MTNR1A (0.40) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL9315018 | 0.81 | MTNR1A (0.37) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL9315695 | 0.81 | MTNR1A (0.37) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL9197523 | 0.81 | TSHR (0.39) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL10760472 | 0.80 | MTNR1A (0.57) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL9316753 | 0.77 | PDE4A (0.38) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A | |
| SCHEMBL10902522 | 0.74 | CDC7 (0.40) | CDC7PIM1CSNK2BCSNK2A1 | |
| SCHEMBL9201848 | 0.71 | CYP2A6 (0.41) | MTNR1AALDH1A1CYP1A2CYP2C19PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0463969-B1 | New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them | ADIR (FR) | 1995-02-08 | — | — | EP | disclosed |
| US-5278166-A | 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1994-01-11 | — | — | US | disclosed |
| US-5214063-A | 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors | ADIR ET COMPAGNIE (FR) | 1993-05-25 | — | — | US | disclosed |
| US-5162364-A | Treatment of spastic and senescence disorders | ADIR ET COMPAGNIE (FR) | 1992-11-10 | — | — | US | disclosed |
| EP-0463969-A1 | New compounds of 4-aminobutyric acid, process for their preparation and pharmaceutical preparations containing them | ADIR ET COMPAGNIE (FR) | 1992-01-02 | — | — | EP | disclosed |