Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 6/20 | 0.88 |
| ▸ | HTR3A | P46098 | 4/20 | 0.88 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.88 |
| ▸ | HTR3B | O95264 | 3/20 | 0.88 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.88 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.88 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.88 |
| ▸ | LTA4H | P09960 | 2/20 | 0.71 |
| ▸ | CETP | P11597 | 2/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | HTR2A | P28223 | 2/20 | 0.57 |
| ▸ | HTR7 | P34969 | 2/20 | 0.57 |
| ▸ | HTR2B | P41595 | 2/20 | 0.57 |
| ▸ | HTR6 | P50406 | 2/20 | 0.57 |
| ▸ | HTR5A | P47898 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.57 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL219742 | 0.94 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL894618 | 0.94 | ADRB1 (1.00) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL708482 | 0.92 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Hydrochloric Acid SCHEMBL314621 | 0.92 | ADRB1 (0.96) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL15245011 | 0.89 | ADRB1 (0.68) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Formaldehyde SCHEMBL27861281 | 0.86 | ADRB1 (0.85) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| SCHEMBL658716 | 0.86 | ADRB1 (0.85) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Phenylpiperazine SCHEMBL29089117 | 0.86 | ADRB1 (0.85) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Bicarbonate SCHEMBL11625611 | 0.85 | ADRB1 (0.81) | ADRB1HTR3AHTR3EHTR3BHTR3D | |
| Alcohol SCHEMBL11585083 | 0.83 | ADRB1 (0.79) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173424-A1 | PYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066566-A1 | PYRIMIDINE COMPOUNDS | SMITHKLINE BEECHAM PLC (GB) | 2000-11-09 | — | — | WO | disclosed |