Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560298 | 1.00 | ALDH1A1 (0.61) | ALDH1A1OPRM1OPRD1KMT2AMEN1 | |
| SCHEMBL4584631 | 0.83 | ADRB1 (0.54) | OPRM1OPRD1L3MBTL1ADRB1ADRB3 | |
| SCHEMBL4584636 | 0.83 | ADRB1 (0.54) | OPRM1OPRD1L3MBTL1ADRB1ADRB3 | |
| SCHEMBL8559634 | 0.83 | ADRB3 (0.54) | ADRB1ADRB3EPHX2 | |
| SCHEMBL29206351 | 0.81 | KMT2A (0.73) | ALDH1A1OPRM1OPRD1KMT2AMEN1 | |
| SCHEMBL26177168 | 0.78 | ADRB3 (0.52) | ADRB1ADRB3EPHX2 | |
| SCHEMBL26177231 | 0.75 | ADRB3 (0.46) | ADRB1ADRB3EPHX2 | |
| SCHEMBL23354845 | 0.73 | ADRB3 (0.52) | ADRB1ADRB3NPC1TBXAS1HTT | |
| SCHEMBL6226534 | 0.73 | ADRB3 (0.52) | ADRB1ADRB3NPC1TBXAS1HTT | |
| SCHEMBL6226527 | 0.73 | ADRB3 (0.52) | ADRB1ADRB3NPC1TBXAS1HTT |
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-5846791-A | N-(R)-(2-hydroxy-2-pyridine-3-yl-ethyl)-2-(4-nitro-phenyl)-acetamide | MERCK & CO., INC. (US) | 1998-12-08 | — | — | US | disclosed |
| US-5792871-A | BETA-3 AGONIST USEFUL IN TREATMENT OF OBESITY AND DIABETES | MERCK & CO., INC. (US) | 1998-08-11 | — | — | US | disclosed |
| WO-1998003672-A9 | N-(R)-(2-HYDROXY-2-PYRIDINE-3-YL-ETHYL)-2-(4-NITRO-PHENYL)-ACETAMIDE | — | 1998-04-23 | — | — | WO | disclosed |
| WO-1998003672-A1 | N-(R)-(2-HYDROXY-2-PYRIDINE-3-YL-ETHYL)-2-(4-NITRO-PHENYL)-ACETAMIDE | MERCK & CO., INC. (US) | 1998-01-29 | — | — | WO | disclosed |