Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.39 |
| ▸ | HTR3B | O95264 | 3/20 | 0.39 |
| ▸ | HTR3A | P46098 | 3/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5029237 | 0.77 | ADRB1 (0.47) | PLD1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL3629025 | 0.75 | ADRB1 (0.56) | PLD1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL20458913 | 0.71 | CHRNB2 (0.45) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Pyridine SCHEMBL27687558 | 0.71 | PLD1 (0.47) | PLD1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL27538736 | 0.71 | ADRB1 (0.39) | PLD1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30411053 | 0.69 | HRH3 (0.73) | PLD1ADRB1HRH3CYP1A2HSD17B10 | |
| SCHEMBL29691124 | 0.68 | HTR2C (0.47) | PLD1ADRB1HTR2CKDM4ECYP1A2 | |
| SCHEMBL18865595 | 0.68 | HRH4 (0.47) | ALDH1A1HRH3KDM4EHRH4 | |
| SCHEMBL16247101 | 0.67 | ADORA2A (0.34) | ALDH1A1KDM4ECYP1A2MAPK1HSD17B10 | |
| SCHEMBL16410174 | 0.67 | PLD1 (0.46) | PLD1HTR3EHTR3BHTR3AHTR3D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115996929-A | Antagonists of adenosine A2a receptors | 阿道尔克斯治疗有限公司 | 2023-04-21 | — | — | CN | disclosed |