Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL865315 | 0.86 | NPSR1 (0.48) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| SCHEMBL1439502 | 0.78 | NPSR1 (0.42) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| SCHEMBL3125283 | 0.78 | NPSR1 (0.47) | NPSR1CYP19A1NAAACYP17A1EPHX2 | |
| SCHEMBL18394764 | 0.78 | NPSR1 (0.42) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| SCHEMBL113024 | 0.77 | CYP19A1 (0.42) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| Ammonia Solution, Strong SCHEMBL28325233 | 0.77 | NPSR1 (0.45) | NPSR1CYP19A1NAAACYP17A1EPHX2 | |
| SCHEMBL27736443 | 0.77 | CYP19A1 (0.44) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| Hydrochloric Acid SCHEMBL27804949 | 0.76 | EPHX1 (0.41) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| SCHEMBL7183801 | 0.75 | NPSR1 (0.39) | NPSR1CYP19A1NAAACA2CYP17A1 | |
| SCHEMBL4222114 | 0.75 | CYP19A1 (0.43) | NPSR1CYP19A1NAAACA2CYP17A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090246233-A1 | Treatment of Gastroparesis and Nonulcer Dyspepsia With GABAB Agonists | AGI THERAPEUTICS RESEARCH LTD. | 2009-10-01 | — | — | US | disclosed |
| EP-1675581-A1 | TREATMENT OF GASTROPARESIS AND NONULCER DYSPEPSIA WITH GABA-b AGONISTS | AGI THERAPEUTICS RESEARCH LIMITED (IE) | 2006-07-05 | — | — | EP | disclosed |
| US-20050090554-A1 | Administering baclofen, or a salt thereof, to relieve at least one symptom of gastroparesis other than vomiting | AGI THERAPEUTICS LTD. (IE) | 2005-04-28 | — | — | US | disclosed |
| WO-2005025559-A1 | TREATMENT OF GASTROPARESIS AND NONULCER DYSPEPSIA WITH GABAB AGONISTS | AGI THERAPEUTICS LTD. (US) | 2005-03-24 | — | — | WO | disclosed |