Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.55 |
| ▸ | HTR3A | P46098 | 4/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.55 |
| ▸ | HTR3B | O95264 | 3/20 | 0.55 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.55 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | GUSB | P08236 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795209 | 0.86 | ADRB1 (0.55) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL7236768 | 0.85 | ADRB1 (0.55) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL4925469 | 0.84 | ADRB1 (0.77) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL2231843 | 0.76 | HRH3 (0.64) | SIGMAR1HRH3TP53 | |
| SCHEMBL13667485 | 0.74 | GRM5 (0.54) | GRM5 | |
| SCHEMBL26236040 | 0.73 | ADRB1 (0.53) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL12916421 | 0.73 | ADRB1 (0.65) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL234280 | 0.73 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL2410870 | 0.73 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL443521 | 0.73 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D |
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 |
|---|---|---|---|---|---|---|---|
| US-6552018-B1 | As antitumor agents | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-22 | — | — | US | disclosed |
| US-6169086-B1 | AN ANTITUMOR AGENT FOR TREATING TUMOR RESISTANT TO 5-FLUOROURACIL TYPE DRUGS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-02 | — | — | US | disclosed |
| EP-1022270-A1 | PYRAZOLE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2000-07-26 | — | — | EP | disclosed |