Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11719990 | 0.85 | TSHR (0.44) | ESR1TSHRALDH1A1CYP2D6SLC6A2 | |
| SCHEMBL28532178 | 0.82 | ESR1 (0.46) | ESR1TSHRACHEMC4RALDH1A1 | |
| SCHEMBL6221831 | 0.77 | ESR1 (0.46) | ESR1TSHRACHEMC4RALDH1A1 | |
| SCHEMBL10455676 | 0.77 | TSHR (0.39) | TSHRALDH1A1CYP2C19CYP2C9LMNA | |
| SCHEMBL216837 | 0.77 | HTT (0.40) | TSHRALDH1A1CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL28339211 | 0.77 | ESR1 (0.38) | ESR1ALDH1A1KCNH2NPSR1MEN1 | |
| SCHEMBL9656285 | 0.76 | ESR1 (0.50) | ESR1TSHRACHEMC4RALDH1A1 | |
| SCHEMBL6547004 | 0.76 | ESR1 (0.50) | ESR1TSHRACHEMC4RACP3 | |
| SCHEMBL31538069 | 0.76 | ESR1 (0.50) | ESR1TSHRACHEMC4RALDH1A1 | |
| SCHEMBL6643908 | 0.76 | NISCH (0.44) | TSHRMC4RCYP2D6SLC6A2SLC6A4 |
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-6534496-B1 | Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or | TAKEDA CHEMICAL INDUSTRIES, INC. (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0975624-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | Takeda Chemical Industries, Ltd. (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046590-A1 | THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |
| EP-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |