Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9202060 | 0.83 | CA12 (0.40) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9200232 | 0.83 | MAOB (0.45) | GPR35CA12CA1CA2CA9 | |
| SCHEMBL9315800 | 0.83 | ALDH1A1 (0.43) | CA12CA1CA2CA9MAOA | |
| SCHEMBL9195715 | 0.81 | ACHE (0.55) | NPC1RAB9AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9315026 | 0.80 | ACHE (0.41) | CA12CA2CA9ALDH1A1CYP1A2 | |
| SCHEMBL9315699 | 0.80 | PIM1 (0.44) | PIM1MAOAALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9197524 | 0.80 | TSHR (0.39) | ALDH1A1CYP1A2CYP2C19MTNR1ALMNA | |
| SCHEMBL9316757 | 0.76 | PDE4A (0.38) | ALDH1A1CYP1A2CYP2C19MTNR1APDE4A | |
| SCHEMBL10902517 | 0.74 | BCHE (0.65) | CYP2A6GRIN1GRIN2AGRIN2BGRIN2C | |
| SCHEMBL9201839 | 0.71 | MTNR1A (0.40) | PIM1ALDH1A1CYP1A2CYP2C19MTNR1A |
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 |