Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | ICMT | O60725 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 3/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL27471361 | 0.85 | DRD2 (0.43) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL27471807 | 0.78 | DRD2 (0.37) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL11396212 | 0.74 | DRD2 (0.43) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL6678530 | 0.71 | PTGS1 (0.48) | MGLLFAAHMAPTPTGS1PTGS2 | |
| SCHEMBL7828106 | 0.70 | CYP1A1 (0.64) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL8787666 | 0.70 | CYP1A1 (0.64) | ADRB2ADRB1ADRB3DRD2DRD3 | |
| SCHEMBL25160404 | 0.69 | ALDH1A1 (0.43) | DRD2DRD3MGLLMAPT | |
| SCHEMBL282436 | 0.69 | CA2 (0.66) | ADRB3CA2CA12CA1CA9 | |
| SCHEMBL10609781 | 0.69 | CA2 (0.66) | ADRB3CA2CA12CA1CA9 | |
| SCHEMBL3684557 | 0.69 | CA2 (0.66) | ADRB3CA2CA12CA1CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1149869-A | Substituted sulfonamides as selective beta3 agonists for treatment of diabetes and obesity | MERCK & CO LTD (US) | 1997-05-14 | — | — | CN | disclosed |
| US-5561142-A | Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity | MERCK & CO., INC. (US) | 1996-10-01 | — | — | US | disclosed |
| US-5541197-A | Substituted sulfonamides as selective β3 agonists for the treatment of diabetes and obesity | MERCK & CO., INC. (US) | 1996-07-30 | — | — | US | disclosed |