Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.46 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 3/20 | 0.43 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.41 |
| ▸ | TAOK3 | Q9H2K8 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8547546 | 0.88 | CA1 (0.46) | CA1CA2ACHEMTNR1AMTNR1B | |
| SCHEMBL8549143 | 0.78 | ADRA1A (0.42) | AGTR2AGTR1 | |
| SCHEMBL22681381 | 0.76 | DRD2 (0.59) | CA1CA2ACHEMEN1ALDH1A1 | |
| SCHEMBL21091915 | 0.76 | DRD2 (0.59) | CA1CA2ACHEMEN1ALDH1A1 | |
| SCHEMBL8019711 | 0.75 | DRD2 (0.55) | — | |
| SCHEMBL8978466 | 0.75 | AGTR2 (0.44) | CA1CA2ACHEMTNR1AMTNR1B | |
| Hydrochloric Acid SCHEMBL7335560 | 0.74 | DRD2 (0.54) | — | |
| Hydrochloric Acid SCHEMBL7335562 | 0.74 | DRD2 (0.54) | — | |
| SCHEMBL8593552 | 0.74 | ADRB3 (0.45) | AGTR2 | |
| SCHEMBL21091908 | 0.70 | KMT2A (0.51) | MEN1ALDH1A1KMT2ASGMS2PTPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0608568-B1 | Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents | AMERICAN CYANAMID CO (US) | 1998-03-11 | — | — | EP | disclosed |
| US-5594027-A | TREATMENT OF DIABETES, HYPERGLYCEMIA AND OBESITY | AMERICAN CYANAMID COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| US-5510376-A | TREATING DIABETES, HYPERGLYCEMIA, OBESITY | AMERICAN CYANAMID COMPANY (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0608568-A1 | Aminocycloalkanobenzodioxoles as beta-3 selective adrenergic agents | AMERICAN CYANAMID COMPANY (US) | 1994-08-03 | — | — | EP | disclosed |