Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.61 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | DRD2 | P14416 | 2/20 | 0.60 |
| ▸ | DRD1 | P21728 | 2/20 | 0.60 |
| ▸ | DRD4 | P21917 | 2/20 | 0.60 |
| ▸ | DRD5 | P21918 | 2/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.60 |
| ▸ | DRD3 | P35462 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | APEX1 | P27695 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL1005901 | 0.88 | CNR1 (0.61) | KDM4EMAPTDRD2DRD1DRD4 | |
| SCHEMBL3454809 | 0.87 | BACE1 (0.73) | BACE1TAAR1MAPK1KDM4EADRA2A | |
| SCHEMBL10666157 | 0.84 | MAPT (0.51) | BACE1TAAR1MAPK1KDM4EADRA2A | |
| SCHEMBL5168590 | 0.83 | TYR (0.61) | MAPK1MAPTTDP1TP53ALOX15 | |
| SCHEMBL5167232 | 0.82 | TRPA1 (0.59) | BACE1MAPTDRD2DRD1DRD4 | |
| SCHEMBL14756852 | 0.81 | TAAR1 (0.64) | BACE1TAAR1MAPK1KDM4EADRA2A | |
| SCHEMBL5167885 | 0.79 | TYR (0.67) | MAPK1MAPTDRD2DRD1DRD4 | |
| SCHEMBL50708 | 0.79 | CNR1 (0.59) | MAPK1KDM4EMAPTDRD2DRD1 | |
| SCHEMBL3048700 | 0.79 | TYR (0.50) | BACE1KDM4EMAPTTDP1ALDH1A1 | |
| SCHEMBL5168102 | 0.79 | CNR1 (0.59) | BACE1KDM4EDRD2DRD1DRD4 |
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-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0904079-A4 | — | — | 1999-05-06 | — | — | EP | disclosed |
| EP-0904079-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1997027857-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |